SCHEMBL1885692

SCHEMBL1885692

Cc1cc(C(=O)NC23CC4CC(CC(NC(=O)c5ccccn5)(C4)C2)C3)nn1C

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.47
FPR2 P25090 1/20 0.47
CNR2 P34972 4/20 0.45
CNR1 P21554 3/20 0.45
RAB9A P51151 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.45
AGTR1 P30556 1/20 0.45
OPRK1 P41145 1/20 0.45
RECQL P46063 1/20 0.45
GRM4 Q14833 1/20 0.44
HTT P42858 1/20 0.44
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 1/20 0.44
EPHX1 P07099 1/20 0.42
EPHX2 P34913 1/20 0.42
BAZ2B Q9UIF8 1/20 0.42
PABPC1 P11940 1/20 0.42

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
SCHEMBL15162691 0.88 CNR2 (0.41) GRM5FPR2CNR2CNR1RAB9A
SCHEMBL1580450 0.85 GRM5 (0.47) GRM5FPR2CNR2CNR1MAPT
SCHEMBL1578149 0.85 GRM5 (0.58) GRM5FPR2RAB9AKDM4EMAPT
SCHEMBL1578535 0.83 GRM5 (0.57) GRM5FPR2RAB9AKDM4EMAPT
SCHEMBL1579041 0.83 NTRK1 (0.44) GRM5FPR2CNR2CNR1RAB9A
SCHEMBL1580751 0.83 KDM4E (0.46) GRM5FPR2CNR2CNR1RAB9A
SCHEMBL3375697 0.81 HTT (0.48) GRM5CNR2CNR1RAB9AKDM4E
SCHEMBL1579128 0.81 GRM5 (0.54) GRM5FPR2RAB9AKDM4EMAPT
SCHEMBL1578478 0.81 RAB9A (0.54) GRM5FPR2CNR2RAB9AKDM4E
SCHEMBL1578466 0.81 GRM5 (0.45) GRM5FPR2CNR2CNR1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7947680-B2 Adamantyl diamide derivatives and uses of same H. LUNDBECK A/S 2011-05-24 US claimed
US-8716284-B2 Adamantyl diamide derivatives and uses of same H. LUNDBECK A/S (DK) 2014-05-06 US disclosed
US-8716284-B2 Adamantyl diamide derivatives and uses of same H. LUNDBECK A/S (DK) 2014-05-06 US disclosed
US-20130184277-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME H. LUNDBECK A/S (DK) 2013-07-18 US disclosed
US-20130184277-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME H. LUNDBECK A/S (DK) 2013-07-18 US disclosed
US-8389519-B2 Adamantyl diamide derivatives and uses of same H. LUNDBECK A/S (DK) 2013-03-05 US disclosed
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-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-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-20110178086-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME H. LUNDBECK A/S (DK) 2011-07-21 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-7947680-B2 Adamantyl diamide derivatives and uses of same H. LUNDBECK A/S 2011-05-24 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
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 (4 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 GRM5 3873/4885FPR2 3365/4885CNR2 1628/4885
US-20130184277-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME QDPR, PDE3B, ADM2 GRM5 3895/4885FPR2 3380/4885CNR2 1603/4885
US-20100022546-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME QDPR, ADM2, PDE3B GRM5 4054/4885FPR2 3206/4885CNR2 1681/4885
US-20110178086-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME QDPR, PDE3B, ADM2 GRM5 3873/4885FPR2 3365/4885CNR2 1628/4885

“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.