SCHEMBL9915236

SCHEMBL9915236

Nc1cccc(C(=O)NC23CC4CC(C2)CC(NC(=O)c2ccccn2)(C4)C3)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.48
GRM5 P41594 5/20 0.48
FPR2 P25090 1/20 0.46
RAB9A P51151 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
AGTR1 P30556 1/20 0.46
OPRK1 P41145 1/20 0.46
RECQL P46063 1/20 0.46
POLB P06746 1/20 0.45
CNR2 P34972 2/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
TSHR P16473 1/20 0.45
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PABPC1 P11940 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL1578468 0.88 GRM5 (0.56) FAAHGRM5FPR2RAB9AKDM4E
SCHEMBL9915258 0.88 GRM5 (0.56) FAAHGRM5FPR2RAB9AKDM4E
SCHEMBL1578303 0.88 FAAH (0.62) FAAHGRM5FPR2RAB9AKDM4E
SCHEMBL1578805 0.87 GRM5 (0.52) FAAHGRM5FPR2RAB9AKDM4E
SCHEMBL1578149 0.86 GRM5 (0.58) FAAHGRM5FPR2RAB9AKDM4E
SCHEMBL1578672 0.85 GRM5 (0.59) FAAHGRM5FPR2RAB9AKDM4E
SCHEMBL1578828 0.85 FAAH (0.67) FAAHGRM5FPR2RAB9AKDM4E
SCHEMBL15120371 0.82 GRM5 (0.55) FAAHGRM5FPR2RAB9AKDM4E
SCHEMBL1579128 0.82 GRM5 (0.54) FAAHGRM5FPR2RAB9AKDM4E
SCHEMBL9914297 0.81 PBK (0.55) FAAHGRM5FPR2RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8389519-B2 Adamantyl diamide derivatives and uses of same H. LUNDBECK A/S (DK) 2013-03-05 US disclosed
US-20120270873-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME H. LUNDBECK A/S (DK) 2012-10-25 US disclosed
US-8198275-B2 Adamantyl diamide derivatives and uses of same H. LUNDBECK A/S (DK) 2012-06-12 US disclosed
US-20110178086-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME H. LUNDBECK A/S (DK) 2011-07-21 US disclosed
US-7947680-B2 Adamantyl diamide derivatives and uses of same H. LUNDBECK A/S 2011-05-24 US disclosed
US-20100022546-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME H. LUNDBECK A/S (DK) 2010-01-28 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 (3 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-20120270873-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME QDPR, PDE3B, ADM2 FAAH 2836/4885GRM5 3873/4885FPR2 3365/4885
US-20100022546-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME QDPR, ADM2, PDE3B FAAH 2906/4885GRM5 4054/4885FPR2 3206/4885
US-20110178086-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME QDPR, PDE3B, ADM2 FAAH 2836/4885GRM5 3873/4885FPR2 3365/4885

“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.