SCHEMBL255503

SCHEMBL255503

CN1CCC2(CCCNC2)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 12/20 0.53
ALDH1A1 P00352 10/20 0.53
CYP2D6 P10635 9/20 0.53
CYP1A2 P05177 6/20 0.53
HSD17B10 Q99714 5/20 0.53
TSHR P16473 4/20 0.53
USP2 O75604 6/20 0.50
CYP2C9 P11712 2/20 0.46
MAPK1 P28482 4/20 0.45
CYP2C19 P33261 3/20 0.45
HPGD P15428 2/20 0.45
TP53 P04637 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
SOS1 Q07889 1/20 0.38
SOS2 Q07890 1/20 0.38
CHEK1 O14757 1/20 0.35
AURKA O14965 1/20 0.35
RPS6KA5 O75582 1/20 0.35
CHEK2 O96017 1/20 0.35
ABL1 P00519 1/20 0.35

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
SCHEMBL18632964 1.00 CYP3A4 (0.53) CYP3A4ALDH1A1CYP2D6CYP1A2HSD17B10
SCHEMBL258809 0.92 CYP2D6 (0.49) CYP3A4ALDH1A1CYP2D6CYP1A2HSD17B10
SCHEMBL2743300 0.88 TSHR (0.56) CYP3A4ALDH1A1CYP2D6CYP1A2HSD17B10
SCHEMBL12457837 0.88 TSHR (0.56) CYP3A4ALDH1A1CYP2D6CYP1A2HSD17B10
SCHEMBL13879323 0.88 TSHR (0.56) CYP3A4ALDH1A1CYP2D6CYP1A2HSD17B10
SCHEMBL799975 0.88 CYP3A4 (0.45) CYP3A4ALDH1A1CYP2D6CYP1A2HSD17B10
Hydrochloric Acid SCHEMBL9688286 0.86 TSHR (0.59) CYP3A4ALDH1A1CYP2D6CYP1A2HSD17B10
SCHEMBL801167 0.85 CYP3A4 (0.42) CYP3A4ALDH1A1CYP2D6CYP1A2HSD17B10
SCHEMBL1753856 0.84 TSHR (0.49) CYP3A4ALDH1A1CYP2D6CYP1A2HSD17B10
SCHEMBL22958242 0.82 TSHR (0.47) CYP3A4ALDH1A1CYP2D6CYP1A2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024073371-A1 AKT1 MODULATORS ALTEROME THERAPEUTICS, INC. (US) 2024-04-04 WO disclosed
WO-2024064026-A1 AKT1 MODULATORS ALTEROME THERAPEUTICS, INC. (US) 2024-03-28 WO disclosed
US-20240066029-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2024-02-29 US disclosed
EP-4289428-A1 NITROGEN-CONTAINING POLYCYCLIC FUSED RING COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, PREPARATION METHOD THEREFOR, AND USE THEREOF Applied Pharmaceutical Science, Inc. (CN) 2023-12-13 EP disclosed
WO-2023235384-A1 COMPOUNDS FOR ENHANCING READ THROUGH OF GENES CONTAINING PREMATURE TERMINATION CODONS AND METHODS FOR MAKING AND USING THE SAME SANOFI US SERVICES INC. (US) 2023-12-07 WO disclosed
EP-4227304-A2 THIADIAZOLE ANALOGS AND THEIR USE FOR TREATING DISEASES ASSOCIATED WITH A DEFICIENCY OF SMN MOTOR NEURONS Novartis AG (CH) 2023-08-16 EP disclosed
WO-2023064880-A1 COMPOUNDS AND METHODS FOR MODULATING NUCLEIC ACID SPLICING REMIX THERAPEUTICS INC. (US) 2023-04-20 WO disclosed
WO-2023064586-A1 NOVEL MODULATORS OF EHMT1 AND EHMT2 AND THERAPEUTIC USE THEREOF TANGO THERAPEUTICS, INC. (US) 2023-04-20 WO disclosed
US-11524966-B1 Carboxamides as ubiquitin-specific protease inhibitors VALO HEALTH, INC. (US) 2022-12-13 US disclosed
US-20220340577-A1 GCN2 INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2022-10-27 US disclosed
EP-2215095-B1 CYCLOPROPYL FUSED INDOLOBENZAZEPINE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2011-04-13 EP disclosed
EP-2215095-A1 CYCLOPROPYL FUSED INDOLOBENZAZEPINE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C Bristol-Myers Squibb Company (US) 2010-08-11 EP disclosed
US-20100035909-A1 NOVEL SUBSTITUTED DIAZA-SPIRO-PYRIDINONE DERIVATIVES FOR USE IN MCH-1 MEDIATED DISEASES JANSSEN PHARMACEUTICA N.V. (BE) 2010-02-11 US disclosed
US-20100035909-A1 NOVEL SUBSTITUTED DIAZA-SPIRO-PYRIDINONE DERIVATIVES FOR USE IN MCH-1 MEDIATED DISEASES JANSSEN PHARMACEUTICA N.V. (BE) 2010-02-11 US disclosed
US-20090325992-A1 COMPOUND HAVING CYCLIC GROUP BOUND THERETO THROUGH SPIRO BINDING AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2009-12-31 US disclosed
US-7582627-B2 3-Amino-7-[3-(1-aminoethyl)-4-fluoropyrrolidin-1-yl]-1-cyclopropyl-8-methyl-1H-pyrido[4,3-d]pyrimidine-2,4-dione; quinolone antibiotics; bactericides; for antibiotic- resistant bacterial infections, ciprofloxacin- resistant ones; inhibiting wild-type and quinolone- resistant mutants of DNA gryase WARNER-LAMBERT COMPANY (US) 2009-09-01 US disclosed
WO-2009067392-A1 CYCLOPROPYL FUSED INDOLOBENZAZEPINE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2009-05-28 WO disclosed
US-20090130056-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2009-05-21 US disclosed
EP-2055705-A1 COMPOUND HAVING CYCLIC GROUP BOUND THERETO THROUGH SPIRO BINDING AND USE THEREOF Ono Pharmaceutical CO., LTD. (JP) 2009-05-06 EP disclosed
WO-2008068265-A1 NOVEL SUBSTITUTED DIAZA SPIRO PYRIDINONE DERIVATIVES FOR USE IN MCH-1 MEDIATED DISEASES JANSSEN PHARMACEUTICA N.V. (BE) 2008-06-12 WO 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 (6 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-11524966-B1 Carboxamides as ubiquitin-specific protease inhibitors USP28, USP25, USP24 CYP3A4 2248/4885ALDH1A1 2167/4885CYP2D6 3529/4885
US-20100035909-A1 NOVEL SUBSTITUTED DIAZA-SPIRO-PYRIDINONE DERIVATIVES FOR USE IN MCH-1 MEDIATED DISEASES MCHR1, MCHR2, MC1R CYP3A4 2263/4885ALDH1A1 281/4885CYP2D6 1062/4885
US-20090130056-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 CYP3A4 214/4885ALDH1A1 163/4885CYP2D6 273/4885
US-20090325992-A1 COMPOUND HAVING CYCLIC GROUP BOUND THERETO THROUGH SPIRO BINDING AND USE THEREOF CXCR4, CXCL12, CXCR1 CYP3A4 2176/4885ALDH1A1 297/4885CYP2D6 1614/4885
US-20220340577-A1 GCN2 INHIBITORS AND USES THEREOF EIF2AK4, GCN1, GCGR CYP3A4 3536/4885ALDH1A1 4414/4885CYP2D6 2931/4885
US-20240066029-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF CYP3A4 3158/4885ALDH1A1 2868/4885CYP2D6 3706/4885

“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.