SCHEMBL1532664

SCHEMBL1532664

NC(=O)NNC(=O)COCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.51
NPC1 O15118 2/20 0.51
TSHR P16473 1/20 0.50
CSNK1D P48730 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
ADORA2A P29274 1/20 0.50
ADORA1 P30542 1/20 0.50
PTPRC P08575 1/20 0.50
PTPN1 P18031 1/20 0.50
NAMPT P43490 1/20 0.49
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
GRM5 P41594 1/20 0.45
ATM Q13315 1/20 0.45
PARP10 Q53GL7 1/20 0.45

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
SCHEMBL1171808 0.85 RAB9A (0.51) RAB9ANPC1TSHRCSNK1DADORA3
SCHEMBL31688404 0.83 HDAC8 (0.57) RAB9ANPC1TSHRCSNK1DADORA3
SCHEMBL203767 0.82 TSHR (0.56) RAB9ANPC1TSHRALDH1A1GRM5
SCHEMBL13527496 0.82 NPC1 (0.49) RAB9ANPC1TSHRCSNK1DADORA3
SCHEMBL8003959 0.81 CSNK1D (0.50) RAB9ANPC1TSHRCSNK1DADORA3
SCHEMBL14336396 0.81 CSNK1D (0.54) RAB9ANPC1TSHRCSNK1DADORA3
SCHEMBL8003960 0.81 CSNK1D (0.50) RAB9ANPC1TSHRCSNK1DADORA3
SCHEMBL26333756 0.81 CSNK1D (0.50) RAB9ANPC1TSHRCSNK1DADORA3
SCHEMBL2530328 0.81 CSNK1D (0.47) RAB9ANPC1TSHRCSNK1DADORA3
SCHEMBL14112017 0.80 KMT2A (0.65) RAB9ATSHRALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4647783-B2 2011-03-09 JP claimed
JP-2002518388-A 2002-06-25 JP claimed
US-6407255-B2 THERAPY FOR PSYCHOLOGICAL DISORDERS MERCK SHARP & DOHME LTD. (GB) 2002-06-18 US claimed
EP-1087966-B1 CHEMICAL SYNTHESIS OF MORPHOLINE DERIVATIVES MERCK SHARP & DOHME (GB) 2002-05-08 EP claimed
US-20020019524-A1 Chemical synthesis of morpholine derivatives MERCK SHARP & DOHME LIMITED 2002-02-14 US claimed
EP-1087966-A1 CHEMICAL SYNTHESIS OF MORPHOLINE DERIVATIVES MERCK SHARP & DOHME LTD. (GB) 2001-04-04 EP claimed
WO-1999065900-A1 CHEMICAL SYNTHESIS OF MORPHOLINE DERIVATIVES MERCK SHARP & DOHME LIMITED (GB) 1999-12-23 WO claimed
US-6407255-B2 THERAPY FOR PSYCHOLOGICAL DISORDERS MERCK SHARP & DOHME LTD. (GB) 2002-06-18 US disclosed
EP-1087966-B1 CHEMICAL SYNTHESIS OF MORPHOLINE DERIVATIVES MERCK SHARP & DOHME (GB) 2002-05-08 EP disclosed
US-20020019524-A1 Chemical synthesis of morpholine derivatives MERCK SHARP & DOHME LIMITED 2002-02-14 US disclosed
US-6297376-B1 POTENT AND SELECTIVE SUBSTANCE P (OR NEUROKININ-1) RECEPTOR ANTAGONISTS. ONE-STEP ALKYLATION WITH 3-CHLOROMETHYL-1,2,4-TRIAZOLIN-5-ONE, MERCK SHARP & DOHME LTD. (GB) 2001-10-02 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 (1 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-20020019524-A1 Chemical synthesis of morpholine derivatives OPRM1, OPRK1, OPRL1 RAB9A 1917/4885NPC1 397/4885TSHR 2642/4885

“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.