SCHEMBL4912947

SCHEMBL4912947

CC(C)CN1CCN(C=O)CC1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.57
PIK3CD O00329 3/20 0.50
CYP2D6 P10635 4/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GPR55 Q9Y2T6 1/20 0.35
SLC2A1 P11166 1/20 0.33
GAA P10253 1/20 0.33
COMT P21964 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL28493449 0.83 HSD17B10 (0.53) HSD17B10PIK3CDGAATSHR
SCHEMBL24672241 0.83 HSD17B10 (0.63) HSD17B10PIK3CD
SCHEMBL28902590 0.83 HSD17B10 (0.63) HSD17B10PIK3CD
SCHEMBL24672946 0.83 HSD17B10 (0.63) HSD17B10PIK3CD
SCHEMBL21814634 0.81 HSD17B10 (0.61) HSD17B10PIK3CD
SCHEMBL20438377 0.80 PIK3CD (0.61) PIK3CDCYP2D6SMN1; SMN2NPC1RAB9A
SCHEMBL2001262 0.80
SCHEMBL24209746 0.80 PIK3CD (0.61) PIK3CDCYP2D6SMN1; SMN2NPC1RAB9A
SCHEMBL1621691 0.80 PIK3CD (0.61) PIK3CDCYP2D6SMN1; SMN2NPC1RAB9A
SCHEMBL23842299 0.78 HSD17B10 (0.44) HSD17B10PIK3CDSMN1; SMN2GAATSHR

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
EP-2687516-A1 Inhibitors of C-FMS Kinase Janssen Pharmaceutica N.V. (BE) 2014-01-22 EP disclosed
US-20090275555-A1 Substituted indole ligands for the ORL-1 receptor BRANE DISCOVERY S.R.L. (IT) 2009-11-05 US disclosed
US-20090275555-A1 Substituted indole ligands for the ORL-1 receptor BRANE DISCOVERY S.R.L. (IT) 2009-11-05 US disclosed
US-7468371-B2 Tricyclic pyrazole kinase inhibitors ABBOTT LABORATORIES INC. (US) 2008-12-23 US disclosed
US-20080076760-A1 2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE DERIVATIVE AND MEDICINAL COMPOSITION WAKAMOTO PHARMACEUTICAL CO., LTD (JP) 2008-03-27 US disclosed
EP-1820799-A1 2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE DERIVATIVE AND MEDICINAL COMPOSITION Wakamoto Pharmaceutical Co., Ltd. (JP) 2007-08-22 EP disclosed
EP-1663999-A2 INHIBITORS OF PHOSPHODIESTERASE TYPE-IV RANBAXY LABORATORIES, LTD. (IN) 2006-06-07 EP disclosed
WO-2005021515-A2 INHIBITORS OF PHOSPHODIESTERASE TYPE-IV RANBAXY LABORATORIES LIMITED (IN) 2005-03-10 WO 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-20080076760-A1 2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE DERIVATIVE AND MEDICINAL COMPOSITION GABRA5, GABRA1, GABRB1 HSD17B10 910/4885PIK3CD 2207/4885CYP2D6 560/4885
US-20090275555-A1 Substituted indole ligands for the ORL-1 receptor OGFRL1, OPRL1, ORMDL3 HSD17B10 2560/4885PIK3CD 4640/4885CYP2D6 1222/4885

“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.