SCHEMBL4675008

SCHEMBL4675008

COc1ccc(C(=O)C2CC[N]CC2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.71
RAB9A P51151 1/20 0.71
POLB P06746 1/20 0.61
ALDH1A1 P00352 4/20 0.56
LMNA P02545 4/20 0.56
SMN1; SMN2 Q16637 3/20 0.55
HSD11B1 P28845 1/20 0.55
MGLL Q99685 1/20 0.55
KMT2A Q03164 3/20 0.52
MEN1 O00255 1/20 0.52
GAA P10253 2/20 0.51
MAPK1 P28482 1/20 0.51
CHRM2 P08172 3/20 0.49
CHRM4 P08173 3/20 0.49
CHRM1 P11229 3/20 0.49
CHRM3 P20309 3/20 0.49
TSHR P16473 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49

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
SCHEMBL5350428 0.88 NPC1 (0.89) NPC1RAB9APOLBALDH1A1LMNA
SCHEMBL1148371 0.88 NPC1 (0.89) NPC1RAB9APOLBALDH1A1LMNA
SCHEMBL5350433 0.88 NPC1 (0.89) NPC1RAB9APOLBALDH1A1LMNA
Bicarbonate SCHEMBL11475731 0.84 NPC1 (0.83) NPC1RAB9APOLBALDH1A1LMNA
SCHEMBL3367257 0.84 NPC1 (0.77) NPC1RAB9APOLBALDH1A1LMNA
SCHEMBL9136904 0.84 NPC1 (0.77) NPC1RAB9APOLBALDH1A1LMNA
SCHEMBL4611341 0.83 NPC1 (0.75) NPC1RAB9APOLBALDH1A1LMNA
SCHEMBL9135757 0.83 NPC1 (0.75) NPC1RAB9APOLBALDH1A1LMNA
SCHEMBL4670951 0.81 KMT2A (0.62) NPC1RAB9APOLBALDH1A1LMNA
SCHEMBL4675883 0.81 ALDH1A1 (0.53) NPC1RAB9AALDH1A1LMNAMGLL

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-20030105079-A1 Novel phenylalkyl diamine and amide analogs SK BIOPHARMACEUTICALS CO., LTD. (KR) 2003-06-05 US claimed
EP-0958287-B2 SULFAMIDE-METALLOPROTEASE INHIBITORS HOFFMANN LA ROCHE (CH) 2008-04-09 EP disclosed
EP-0958287-B1 SULFAMIDE-METALLOPROTEASE INHIBITORS HOFFMANN LA ROCHE (CH) 2002-09-11 EP disclosed
US-6376506-B1 REACTING SULFAMOYL OXAZOLIDONE WITH (1,2,3,4)-TETRAHYDRO-BETA-CARBOLINE TO FORM INHIBITOR; USED TO TREAT ARTHRITIS, OSTEOPOROSIS, PERIODONTAL DISEASE, CARDIOVASCULAR DISEASES, MULTIPLE SCLEROSIS, AND TUMORS SYNTEX (U.S.A.) LLC 2002-04-23 US disclosed
EP-0702013-B1 Imidazopyridines MERCK PATENT GMBH (DE) 2001-06-13 EP disclosed
US-5532276-A ANGIOTENSIN II ANTAGONISTS, HYPOTENSIVE MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1996-07-02 US disclosed
EP-0702013-A2 Imidazopyridines MERCK PATENT GmbH (DE) 1996-03-20 EP disclosed
US-5476857-A Imidazopyridines MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-12-19 US disclosed
US-5438063-A Hypotensive agents, cardiac insufficiency, increased intraocular pressure, and CNS disorders MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-08-01 US disclosed
EP-0657452-A1 Imidazopyridines MERCK PATENT GmbH (DE) 1995-06-14 EP disclosed
EP-0657454-A1 Imidazopyridazines being angiotensin II antagonists MERCK PATENT GmbH (DE) 1995-06-14 EP disclosed
EP-0628556-A1 Imidazopyridines MERCK PATENT GmbH (DE) 1994-12-14 EP disclosed
EP-0574846-A2 Imidazopyridines as angiotensin II antagonistes MERCK PATENT GmbH (DE) 1993-12-22 EP 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-20030105079-A1 Novel phenylalkyl diamine and amide analogs SIGMAR1, TAAR1, OPRL1 NPC1 890/4885RAB9A 2619/4885POLB 2456/4885

“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.