SCHEMBL1650545

SCHEMBL1650545

COc1ccc(CN2CCC3(CCCC(N)C3)C2=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.45
SIGMAR1 Q99720 5/20 0.42
OPRL1 P41146 4/20 0.41
CYP19A1 P11511 1/20 0.40
MMP1 P03956 1/20 0.40
MMP13 P45452 1/20 0.40
OPRM1 P35372 4/20 0.40
DRD2 P14416 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
GRM2 Q14416 1/20 0.40
CMA1 P23946 1/20 0.39
BACE1 P56817 1/20 0.39
OPRK1 P41145 2/20 0.38
LMNA P02545 1/20 0.38
DPP4 P27487 1/20 0.38

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
SCHEMBL1650547 1.00 GAA (0.45) GAASIGMAR1OPRL1CYP19A1MMP1
SCHEMBL1651250 0.85 BTK (0.43) OPRM1
SCHEMBL1651251 0.85 BTK (0.43) OPRM1
SCHEMBL12076172 0.84 MEN1 (0.51) SIGMAR1OPRL1OPRM1DRD2HTR2A
Hydrochloric Acid SCHEMBL1652883 0.84 BTK (0.43) OPRM1
Hydrochloric Acid SCHEMBL1650364 0.84 BTK (0.43) OPRM1
SCHEMBL1651799 0.84 KDM4E (0.45) GAASIGMAR1MMP1MMP13LMNA
SCHEMBL1650724 0.84 KDM4E (0.45) GAASIGMAR1MMP1MMP13LMNA
SCHEMBL6929126 0.84 GAA (0.43) GAASIGMAR1OPRL1MMP1MMP13
SCHEMBL6929112 0.84 GAA (0.43) GAASIGMAR1OPRL1MMP1MMP13

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117659023-A Pyridine acetamide derivative, pharmaceutical composition containing same and medical application of pyridine acetamide derivative 苏州阿尔脉生物科技有限公司 2024-03-08 CN disclosed
US-9359297-B2 Spirolactam derivatives and uses of same H. LUNDBECK A/S (DK) 2016-06-07 US disclosed
US-20140194424-A1 SPIROLACTAM DERIVATIVES AND USES OF SAME H. LUNDBECK A/S (DK) 2014-07-10 US disclosed
EP-2493304-B1 SPIROLACTAM DERIVATIVES AND USES OF SAME LUNDBECK & CO AS H (DK) 2014-02-26 EP disclosed
US-8633190-B2 Spirolactam derivatives and uses of same H. LUNDBECK A/S (DK) 2014-01-21 US disclosed
EP-2493304-A1 SPIROLACTAM DERIVATIVES AND USES OF SAME H. Lundbeck A/S (DK) 2012-09-05 EP disclosed
WO-2011053575-A1 SPIROLACTAM DERIVATIVES AND USES OF SAME H. LUNDBECK A/S (DK) 2011-05-05 WO disclosed
US-20110098299-A1 SPIROLACTAM DERIVATIVES AND USES OF SAME H. LUNDBECK A/S (DK) 2011-04-28 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 (2 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-20140194424-A1 SPIROLACTAM DERIVATIVES AND USES OF SAME REN, AGTR1, PDE6D GAA 3919/4885SIGMAR1 480/4885OPRL1 592/4885
US-20110098299-A1 SPIROLACTAM DERIVATIVES AND USES OF SAME REN, AGTR1, PDE6D GAA 3919/4885SIGMAR1 480/4885OPRL1 592/4885

“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.