Sugi Predict

Sugi Predict / Compounds / SCHEMBL1882852

SCHEMBL1882852

SCHEMBL1882852

Cc1ccnc(C(=O)NC23CC4CC(CC(NC(=O)c5ccccn5)(C4)C2)C3)n1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 6/20 0.56
▸ FPR2 P25090 1/20 0.56
▸ RAB9A P51151 3/20 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
▸ MEN1 O00255 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ PABPC1 P11940 1/20 0.43
▸ EPHX2 P34913 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ EPHX1 P07099 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ CNR2 P34972 2/20 0.40

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
SCHEMBL1578338 0.90 GRM5 (0.54) GRM5FPR2PABPC1EPHX2CNR2
SCHEMBL1579128 0.89 GRM5 (0.54) GRM5FPR2RAB9AKDM4EMAPT
SCHEMBL1578457 0.88 GRM5 (0.72) GRM5FPR2RAB9AKDM4EMAPT
SCHEMBL1882675 0.86 PABPC1 (0.62) GRM5FPR2RAB9AKDM4EGAA
SCHEMBL1578957 0.86 GRM5 (0.46) GRM5FPR2MEN1KMT2APABPC1
SCHEMBL1578149 0.86 GRM5 (0.58) GRM5FPR2RAB9AKDM4EMAPT
SCHEMBL1878904 0.86 GRM5 (0.45) GRM5FPR2MEN1KMT2APABPC1
SCHEMBL1578798 0.86 GRM5 (0.59) GRM5FPR2PABPC1CNR2
SCHEMBL1578695 0.85 GRM5 (0.53) GRM5FPR2RAB9AKDM4EMAPT
SCHEMBL15163158 0.85 GRM5 (0.52) GRM5FPR2RAB9AKDM4EMAPT

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-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-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
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 3365/4885RAB9A 333/4885
US-20130184277-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME QDPR, PDE3B, ADM2 GRM5 3895/4885FPR2 3380/4885RAB9A 356/4885
US-20100022546-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME QDPR, ADM2, PDE3B GRM5 4054/4885FPR2 3206/4885RAB9A 314/4885
US-20110178086-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME QDPR, PDE3B, ADM2 GRM5 3873/4885FPR2 3365/4885RAB9A 333/4885

“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.