SCHEMBL1913017

SCHEMBL1913017

CC(C)Cc1cn(C)cn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.53
CYP2C19 P33261 2/20 0.53
TSHR P16473 1/20 0.53
MTOR P42345 1/20 0.53
HRH4 Q9H3N8 1/20 0.53
HRH3 Q9Y5N1 1/20 0.53
TDP1 Q9NUW8 1/20 0.52
CPB2 Q96IY4 11/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
ACACB O00763 1/20 0.32
OGA O60502 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
SLC6A2 P23975 1/20 0.32
HTR1D P28221 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
CPB1 P15086 3/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL867807 0.83 HRH4 (0.55) CYP2C9CYP2C19TSHRMTORHRH4
SCHEMBL10670324 0.83 HRH4 (0.55) CYP2C9CYP2C19TSHRMTORHRH4
SCHEMBL12259432 0.83 CYP2C9 (0.50) CYP2C9CYP2C19TSHRMTORHRH4
SCHEMBL13612080 0.80 CYP2C9 (0.47) CYP2C9CYP2C19TSHRMTORHRH4
SCHEMBL13003084 0.80 CYP2C9 (0.47) CYP2C9CYP2C19TSHRMTORHRH4
SCHEMBL13779178 0.79 HRH4 (0.60) CYP2C9CYP2C19TSHRMTORHRH4
SCHEMBL13407634 0.79 TSHR (0.46) CYP2C9CYP2C19TSHRMTORHRH4
SCHEMBL18884748 0.78 CYP2C9 (0.38) CYP2C9CYP2C19TSHRMTORHRH4
SCHEMBL15601885 0.77 CYP2C9 (0.44) CYP2C9CYP2C19TSHRMTORHRH4
SCHEMBL16508840 0.77 CYP2C9 (0.44) CYP2C9CYP2C19TSHRMTORHRH4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 203 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240217995-A1 COMPOSITIONS FOR CHEMICAL SYNTHESIS OF PEPTIDES SEDERMA (FR) 2024-07-04 US disclosed
US-20240066029-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2024-02-29 US disclosed
US-20240066029-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2024-02-29 US disclosed
US-20240026051-A1 CATIONIC CYCLIC AMINE AND AMPHIPATHIC TRANSFECTION REAGENTS MIRUS BIO LLC 2024-01-25 US disclosed
US-11834447-B2 Indole derivatives and use thereof PURDUE PHARMA L.P. (US) 2023-12-05 US disclosed
US-11795196-B2 Mitochondria-targeting peptides STEALTH BIOTHERAPEUTICS INC. (US) 2023-10-24 US disclosed
US-11795196-B2 Mitochondria-targeting peptides STEALTH BIOTHERAPEUTICS INC. (US) 2023-10-24 US disclosed
EP-4218785-A2 MITOCHONDRIA-TARGETING PEPTIDES Stealth BioTherapeutics Inc. (US) 2023-08-02 EP disclosed
US-20230233689-A1 Bifunctional Small Molecules to Target the Selective Degradation of Circulating Proteins UNIV YALE (US) 2023-07-27 US disclosed
US-11661410-B2 Tricyclic compounds as histone methyltransferase inhibitors GLOBAL BLOOD THERAPEUTICS, INC. (US) 2023-05-30 US disclosed
US-7696210-B2 Gonadotropin releasing hormone receptor antagonists WYETH (US) 2010-04-13 US disclosed
US-7696210-B2 Gonadotropin releasing hormone receptor antagonists WYETH (US) 2010-04-13 US disclosed
US-20090291952-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS GILEAD SCIENCES, INC. (US) 2009-11-26 US disclosed
US-20090291952-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS GILEAD SCIENCES, INC. (US) 2009-11-26 US disclosed
US-20090181902-A1 Modulators of pharmacokinetic properties of therapeutics GILEAD SCIENCES,INC. (US) 2009-07-16 US disclosed
US-20080262028-A1 IMIDAZOLE DERIVATIVES AS INHIBITORS OF TAFIA SANOFI-AVENTIS (FR) 2008-10-23 US disclosed
US-20080207620-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS GILEAD SCIENCES, INC. 2008-08-28 US disclosed
US-20080207620-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS GILEAD SCIENCES, INC. 2008-08-28 US disclosed
US-20080108617-A1 co-administered drug (as HIV protease inhibiting compound, an HIV (non)nucleoside/nucleotide inhibitor of reverse transcriptase, capsid polymerization inhibitor, interferon, ribavirin analog) by inhibiting cytochrome P450 monooxygenase; ureido- or amido-amine derivatives; side effect reduction GILEAD SCIENCES, INC. 2008-05-08 US disclosed
US-20070155730-A1 Benzodiazepine And Benzopiperazine Analog Inhibitors Of Histone Deacetylase METHYLGENE, INC. (CA) 2007-07-05 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (13 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080108617-A1 co-administered drug (as HIV protease inhibiting compound, an HIV (non)nucleoside/nucleotide inhibitor of reverse transcriptase, capsid polymerization inhibitor, interferon, ribavirin analog) by inhibiting cytochrome P450 monooxygenase; ureido- or amido-amine derivatives; side effect reduction PNP, UNG, PNPO CYP2C9 113/4885CYP2C19 119/4885TSHR 4631/4885
US-20090181902-A1 Modulators of pharmacokinetic properties of therapeutics SLC10A1, SLC10A2, SLC26A4 CYP2C9 410/4885CYP2C19 476/4885TSHR 1955/4885
US-20080262028-A1 IMIDAZOLE DERIVATIVES AS INHIBITORS OF TAFIA TFPI, TFPI2, TAF1 CYP2C9 532/4885CYP2C19 307/4885TSHR 647/4885
US-20080207620-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS SLC10A1, SLC10A2, SLC26A4 CYP2C9 476/4885CYP2C19 576/4885TSHR 1865/4885
US-11834447-B2 Indole derivatives and use thereof TRPC4, TRPV4, TRPV1 CYP2C9 1122/4885CYP2C19 1134/4885TSHR 1717/4885
US-11661410-B2 Tricyclic compounds as histone methyltransferase inhibitors EHMT1, EHMT2, BMI1 CYP2C9 4233/4885CYP2C19 4509/4885TSHR 3593/4885
US-20230233689-A1 Bifunctional Small Molecules to Target the Selective Degradation of Circulating Proteins ASGR1, LDLR, FCGR2A CYP2C9 2381/4885CYP2C19 2385/4885TSHR 665/4885
US-11795196-B2 Mitochondria-targeting peptides HSPE1, TFAM, TNNI3 CYP2C9 4829/4885CYP2C19 4663/4885TSHR 3189/4885
US-20240026051-A1 CATIONIC CYCLIC AMINE AND AMPHIPATHIC TRANSFECTION REAGENTS SLC7A1, PARN, PARG CYP2C9 4800/4885CYP2C19 4765/4885TSHR 1244/4885
US-20090291952-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS SLC10A1, SLC10A2, ABCB11 CYP2C9 615/4885CYP2C19 716/4885TSHR 2019/4885
US-20070155730-A1 Benzodiazepine And Benzopiperazine Analog Inhibitors Of Histone Deacetylase HDAC5, HDAC4, HDAC3 CYP2C9 1469/4885CYP2C19 1057/4885TSHR 2136/4885
US-20240217995-A1 COMPOSITIONS FOR CHEMICAL SYNTHESIS OF PEPTIDES PTMS, DNPEP, ANPEP CYP2C9 4319/4885CYP2C19 4508/4885TSHR 2244/4885
US-20240066029-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF CYP2C9 3614/4885CYP2C19 3200/4885TSHR 1461/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.