SCHEMBL75996

SCHEMBL75996

O=C(NC1CCN(c2ccncc2)CC1)[C@H]1C[C@@H](O)CN1C(=O)Nc1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.53
F10 P00742 3/20 0.51
NAMPT P43490 4/20 0.45
MAPT P10636 1/20 0.44
POLB P06746 1/20 0.43
KLKB1 P03952 3/20 0.43
KIT P10721 2/20 0.40
CNR1 P21554 1/20 0.40
CA12 O43570 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 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
SCHEMBL85889 0.91 NAMPT (0.45) TRPV1F10NAMPTMAPTPOLB
SCHEMBL5075422 0.85 F10 (0.56) TRPV1F10NAMPTMAPTKIT
SCHEMBL75979 0.83 TRPV1 (0.65) TRPV1F10NAMPTMAPTPOLB
SCHEMBL3833286 0.80 F10 (0.66) F10MAPTPOLBKLKB1CNR1
SCHEMBL77565 0.79 F10 (0.49) F10MAPTPOLBKLKB1
SCHEMBL3834569 0.75 F10 (0.62) TRPV1F10MAPTPOLBKLKB1
SCHEMBL85147 0.74 F10 (0.66) F10MAPTPOLBKLKB1
SCHEMBL77710 0.74 F10 (0.66) F10MAPTPOLBKLKB1
SCHEMBL85155 0.73 CA12 (0.51) TRPV1F10NAMPTMAPTPOLB
SCHEMBL3828951 0.73 F10 (0.60) F10MAPTPOLBKLKB1CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080003214-A1 Medicaments Comprising Carbonyl Compounds, And The Use Thereof MERCK PATENT GMBH (DE) 2008-01-03 US claimed
US-20060183739-A1 Carbonyl compounds MERCK PATENT GMBH (DE) 2006-08-17 US claimed
US-8129373-B2 Carbonyl compounds MERCK PATENT GMBH (DE) 2012-03-06 US disclosed
US-7906516-B2 Carbonyl compounds MERCK PATENT GMBH (DE) 2011-03-15 US disclosed
US-20100256131-A1 CARBONYL COMPOUNDS TSAKLAKIDIS CHRISTOS 2010-10-07 US disclosed
US-20080003214-A1 Medicaments Comprising Carbonyl Compounds, And The Use Thereof MERCK PATENT GMBH (DE) 2008-01-03 US disclosed
US-20060183739-A1 Carbonyl compounds MERCK PATENT GMBH (DE) 2006-08-17 US disclosed
WO-2006032342-A2 CARBONYL COMPOUND-CONTAINING DRUG AND THE USE THEREOF MERCK PATENT GMBH (DE) 2006-03-30 WO disclosed
WO-2004087646-A2 PYRROLIDINO-1,2-DICARBOXY-1-(PHENYLAMIDE)-2-(4-(3-OXO-MORPHOLINO-4-YL)-PHENYLAMIDE) DERIVATIVES AND RELATED COMPOUNDS FOR USE AS INHIBITORS OF COAGULATION FACTOR XA IN THE TREATMENT OF THROMBO-EMBOLIC DISEASES MERCK PATENT GMBH (DE) 2004-10-14 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 (3 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-20100256131-A1 CARBONYL COMPOUNDS F2, F11, PDHX TRPV1 4243/4885F10 5/4885NAMPT 3125/4885
US-20080003214-A1 Medicaments Comprising Carbonyl Compounds, And The Use Thereof F2, PDHX, SDHB TRPV1 2174/4885F10 22/4885NAMPT 2823/4885
US-20060183739-A1 Carbonyl compounds F2, F11, PDHX TRPV1 4243/4885F10 5/4885NAMPT 3125/4885

“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.