SCHEMBL1578956

SCHEMBL1578956

O=C(CCl)NC12CC3CC(C1)CC(NC(=O)c1ccccn1)(C3)C2

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.52
RAB9A P51151 3/20 0.50
KDM4E B2RXH2 2/20 0.50
MAPT P10636 1/20 0.50
AGTR1 P30556 1/20 0.50
OPRK1 P41145 1/20 0.50
RECQL P46063 1/20 0.50
FPR2 P25090 1/20 0.47
ALDH1A1 P00352 2/20 0.47
PABPC1 P11940 1/20 0.47
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 1/20 0.46
EPHX2 P34913 4/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
EPHX1 P07099 2/20 0.44
SMYD3 Q9H7B4 1/20 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
SCHEMBL1578149 0.91 GRM5 (0.58) GRM5RAB9AKDM4EMAPTAGTR1
SCHEMBL1579128 0.86 GRM5 (0.54) GRM5RAB9AKDM4EMAPTAGTR1
SCHEMBL1578303 0.85 FAAH (0.62) GRM5RAB9AKDM4EMAPTAGTR1
SCHEMBL1578460 0.84 GRM5 (0.54) GRM5RAB9AKDM4EMAPTAGTR1
SCHEMBL2278707 0.84 ALDH1A1 (0.63) GRM5RAB9AKDM4EMAPTAGTR1
SCHEMBL1578628 0.83 GRM5 (0.71) GRM5RAB9AKDM4EMAPTAGTR1
SCHEMBL1578601 0.83 GRM5 (0.54) GRM5RAB9AKDM4EMAPTAGTR1
SCHEMBL2280375 0.83 GRM5 (0.52) GRM5RAB9AKDM4EMAPTAGTR1
SCHEMBL2223415 0.83 ALDH1A1 (0.54) GRM5RAB9AKDM4EMAPTAGTR1
SCHEMBL2638308 0.83 PABPC1 (0.65) RAB9AKDM4EMAPTAGTR1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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
EP-2310356-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME H. Lundbeck A/S (DK) 2011-04-20 EP 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 3873/4885RAB9A 333/4885KDM4E 2855/4885
US-20130184277-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME QDPR, PDE3B, ADM2 GRM5 3895/4885RAB9A 356/4885KDM4E 2889/4885
US-20100022546-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME QDPR, ADM2, PDE3B GRM5 4054/4885RAB9A 314/4885KDM4E 2749/4885
US-20110178086-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME QDPR, PDE3B, ADM2 GRM5 3873/4885RAB9A 333/4885KDM4E 2855/4885

“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.