SCHEMBL4286046

SCHEMBL4286046

CC(C)(C)CCCN1CCCCC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.56
SIGMAR1 Q99720 2/20 0.46
CHRM2 P08172 2/20 0.46
CHRM4 P08173 2/20 0.46
CHRM5 P08912 2/20 0.46
CHRM1 P11229 2/20 0.46
CHRM3 P20309 2/20 0.46
KDM4E B2RXH2 1/20 0.46
HTR1A P08908 1/20 0.46
CYP2D6 P10635 1/20 0.46
DRD2 P14416 1/20 0.46
DRD1 P21728 1/20 0.46
HTR2A P28223 1/20 0.46
OPRM1 P35372 1/20 0.46
DRD3 P35462 1/20 0.46
SCN1A P35498 1/20 0.46
KCNH2 Q12809 1/20 0.46
SCN2A Q99250 1/20 0.46
SCN3A Q9NY46 1/20 0.46
MAPK1 P28482 2/20 0.44

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
SCHEMBL18177226 1.00 HRH3 (0.56) HRH3SIGMAR1CHRM2CHRM4CHRM5
SCHEMBL12437123 1.00 HRH3 (0.56) HRH3SIGMAR1CHRM2CHRM4CHRM5
SCHEMBL2600048 0.98 HRH3 (0.52) HRH3SIGMAR1CHRM2CHRM4CHRM5
SCHEMBL10032114 0.93 HRH3 (0.61) HRH3SIGMAR1CHRM2CHRM4CHRM5
SCHEMBL13602667 0.93 HRH3 (0.61) HRH3SIGMAR1CHRM2CHRM4CHRM5
SCHEMBL11920775 0.93 HRH3 (0.46) HRH3SIGMAR1CHRM2CHRM4CHRM5
SCHEMBL10226325 0.91 HRH3 (0.65) HRH3SIGMAR1MAPK1CYP1A2SMN1; SMN2
SCHEMBL17523768 0.91 HRH3 (0.65) HRH3SIGMAR1MAPK1CYP1A2SMN1; SMN2
SCHEMBL30701394 0.91 HRH3 (0.65) HRH3SIGMAR1MAPK1CYP1A2SMN1; SMN2
SCHEMBL13293933 0.91 HRH3 (0.65) HRH3SIGMAR1MAPK1CYP1A2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12016835-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2024-06-25 US disclosed
US-11858940-B2 Selective modulators of mutant LRRK2 proteolysis and associated methods of use ARVINAS OPERATIONS, INC. (US) 2024-01-02 US disclosed
US-11833122-B2 Aminonaphthoquinone compounds for treatment and/or prevention of fibrosis diseases CALGENT BIOTECHNOLOGY CO., LTD. (TW) 2023-12-05 US disclosed
US-11834412-B2 Derivatives of aryl hydrocarbon receptor agonists AZORA THERAPEUTICS, INC. (US) 2023-12-05 US disclosed
US-20230357165-A1 QUINAZOLINONES DERIVATIVES FOR TREATMENT OF NON-ALCOHOLIC FATTY LIVER DISEASE, PREPARATION AND USE THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2023-11-09 US disclosed
US-11771677-B2 Immunomodulating urea azalides ZOETIS SERVICES LLC (US) 2023-10-03 US disclosed
US-11771677-B2 Immunomodulating urea azalides ZOETIS SERVICES LLC (US) 2023-10-03 US disclosed
US-20230285340-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP LLC (US) 2023-09-14 US disclosed
US-20230277551-A1 ANTIBACTERIAL CHEMICAL COMPOUND, ITS MANUFACTURING METHOD AND ITS USE THEREOF NATIONAL YANG MING CHIAO TUNG UNIVERSITY (TW) 2023-09-07 US disclosed
US-20230277551-A1 ANTIBACTERIAL CHEMICAL COMPOUND, ITS MANUFACTURING METHOD AND ITS USE THEREOF NATIONAL YANG MING CHIAO TUNG UNIVERSITY (TW) 2023-09-07 US disclosed
US-20070105852-A1 Thiophene and furan compounds ELI LILLY AND COMPANY 2007-05-10 US disclosed
US-20070088016-A1 Tricyclic steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY 2007-04-19 US disclosed
US-7205313-B2 Excitatory amino acid receptor antagonists ELI LILLY AND COMPANY (US) 2007-04-17 US disclosed
US-20070066573-A1 Pyrrole and pyrazole derivatives as potentiators of glutamate receptors ELI LILLY AND COMPANY 2007-03-22 US disclosed
US-20070066573-A1 Pyrrole and pyrazole derivatives as potentiators of glutamate receptors ELI LILLY AND COMPANY 2007-03-22 US disclosed
US-20070037821-A1 Nitrosated glutamic acid compounds, compositions and methods of use NITROMED, INC. (US) 2007-02-15 US disclosed
US-20070027166-A1 Pyrazolo pyrimidines useful as aurora kinase inhibitors SUNESIS PHARMACEUTICALS, INC. 2007-02-01 US disclosed
US-7157582-B2 Selective iGluR5 receptor antagonists ELI LILLY AND COMPANY (US) 2007-01-02 US disclosed
US-7157582-B2 Selective iGluR5 receptor antagonists ELI LILLY AND COMPANY (US) 2007-01-02 US disclosed
US-20040180886-A1 Cathepsin S inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-09-16 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 (14 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-20230285340-A1 NEPRILYSIN INHIBITORS MME, REN, ACE HRH3 389/4885SIGMAR1 522/4885CHRM2 845/4885
US-20230357165-A1 QUINAZOLINONES DERIVATIVES FOR TREATMENT OF NON-ALCOHOLIC FATTY LIVER DISEASE, PREPARATION AND USE THEREOF ATG7, GOT1, LIPC HRH3 3419/4885SIGMAR1 647/4885CHRM2 4104/4885
US-11834412-B2 Derivatives of aryl hydrocarbon receptor agonists AHR, ARNT, NR4A1 HRH3 95/4885SIGMAR1 286/4885CHRM2 239/4885
US-20040180886-A1 Cathepsin S inhibitors CTSS, CTSB, CTSZ HRH3 1202/4885SIGMAR1 4837/4885CHRM2 4351/4885
US-20070027166-A1 Pyrazolo pyrimidines useful as aurora kinase inhibitors AURKA, AURKB, AURKC HRH3 1799/4885SIGMAR1 4523/4885CHRM2 2310/4885
US-20230277551-A1 ANTIBACTERIAL CHEMICAL COMPOUND, ITS MANUFACTURING METHOD AND ITS USE THEREOF VIP, MRPL21, GSDMD HRH3 2957/4885SIGMAR1 719/4885CHRM2 4876/4885
US-20070088016-A1 Tricyclic steroid hormone nuclear receptor modulators NR3C2, NR3C1, NR5A1 HRH3 565/4885SIGMAR1 332/4885CHRM2 605/4885
US-11833122-B2 Aminonaphthoquinone compounds for treatment and/or prevention of fibrosis diseases KEAP1, GOT2, COL1A1 HRH3 830/4885SIGMAR1 4602/4885CHRM2 3215/4885
US-20070105852-A1 Thiophene and furan compounds PSEN2, PSEN1, TPMT HRH3 2934/4885SIGMAR1 1229/4885CHRM2 164/4885
US-11771677-B2 Immunomodulating urea azalides ARG1, IL2, CD209 HRH3 147/4885SIGMAR1 1656/4885CHRM2 153/4885
US-11858940-B2 Selective modulators of mutant LRRK2 proteolysis and associated methods of use LRRK2, ADRM1, CRBN HRH3 2096/4885SIGMAR1 3038/4885CHRM2 3182/4885
US-20070066573-A1 Pyrrole and pyrazole derivatives as potentiators of glutamate receptors GRIN1, GRIN3A, GRIK5 HRH3 1043/4885SIGMAR1 633/4885CHRM2 127/4885
US-12016835-B2 Neprilysin inhibitors MME, REN, ACE HRH3 389/4885SIGMAR1 522/4885CHRM2 845/4885
US-20070037821-A1 Nitrosated glutamic acid compounds, compositions and methods of use GLS, NOS2, NOS1 HRH3 2479/4885SIGMAR1 3757/4885CHRM2 392/4885

“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.