SCHEMBL15380650

SCHEMBL15380650

CC(C)(C)C(=O)N1CCC(c2ccc(NC(=O)C3CN(c4cccnn4)C3)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.48
NAMPT P43490 9/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
USP2 O75604 1/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
MCHR1 Q99705 1/20 0.39
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
PTPN6 P29350 1/20 0.39
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
STAT1 P42224 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL15379873 0.94 USP2 (0.47) TRPV1NAMPTSMN1; SMN2USP2ALOX15
SCHEMBL15380459 0.94 USP2 (0.47) TRPV1NAMPTSMN1; SMN2USP2ALOX15
SCHEMBL15378972 0.93 USP2 (0.51) TRPV1NAMPTSMN1; SMN2USP2ALOX15
SCHEMBL15379279 0.91 TRPV1 (0.45) TRPV1NAMPTSMN1; SMN2USP2ALOX15
SCHEMBL15379897 0.89 SMN1; SMN2 (0.46) TRPV1NAMPTSMN1; SMN2USP2ALOX15
SCHEMBL15378835 0.89 NAMPT (0.47) TRPV1NAMPTSMN1; SMN2USP2ALOX15
SCHEMBL15379474 0.88 SMN1; SMN2 (0.47) TRPV1NAMPTSMN1; SMN2USP2ALOX15
SCHEMBL15379004 0.88 NAMPT (0.48) TRPV1NAMPTSMN1; SMN2USP2ALOX15
SCHEMBL15379949 0.88 NAMPT (0.55) TRPV1NAMPTSMN1; SMN2USP2ALOX15
SCHEMBL15378949 0.88 USP2 (0.48) TRPV1NAMPTSMN1; SMN2USP2ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2847181-A1 PYRIDAZINE AND PYRIDINE DERIVATIVES AS NAMPT INHIBITORS AbbVie Inc. (US) 2015-03-18 EP claimed
US-8975398-B2 NAMPT inhibitors ABBVIE INC. (US) 2015-03-10 US claimed
US-20130303509-A1 NAMPT INHIBITORS ABBVIE INC. (US) 2013-11-14 US claimed
WO-2013170115-A1 PYRIDAZINE AND PYRIDINE DERIVATIVES AS NAMPT INHIBITORS ABBVIE INC. (US) 2013-11-14 WO claimed
US-20130303510-A1 NAMPT INHIBITORS ABBVIE INC. (US) 2013-11-14 US claimed
US-20170065575-A1 NAMPT INHIBITORS ABBVIE INC (US) 2017-03-09 US disclosed
US-20150141398-A1 NAMPT INHIBITORS ABBVIE INC. 2015-05-21 US disclosed
EP-2847181-A1 PYRIDAZINE AND PYRIDINE DERIVATIVES AS NAMPT INHIBITORS AbbVie Inc. (US) 2015-03-18 EP disclosed
US-8975398-B2 NAMPT inhibitors ABBVIE INC. (US) 2015-03-10 US disclosed
US-20130303509-A1 NAMPT INHIBITORS ABBVIE INC. (US) 2013-11-14 US disclosed
WO-2013170115-A1 PYRIDAZINE AND PYRIDINE DERIVATIVES AS NAMPT INHIBITORS ABBVIE INC. (US) 2013-11-14 WO disclosed
US-20130303510-A1 NAMPT INHIBITORS ABBVIE INC. (US) 2013-11-14 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-20150141398-A1 NAMPT INHIBITORS NAMPT, NNMT, NAPRT TRPV1 3470/4885NAMPT 1/4885SMN1; SMN2 334/4885
US-20170065575-A1 NAMPT INHIBITORS NAMPT, NNMT, NAPRT TRPV1 3470/4885NAMPT 1/4885SMN1; SMN2 334/4885
US-20130303510-A1 NAMPT INHIBITORS NAMPT, NNMT, NAPRT TRPV1 3470/4885NAMPT 1/4885SMN1; SMN2 334/4885
US-20130303509-A1 NAMPT INHIBITORS NAMPT, NNMT, NAPRT TRPV1 3470/4885NAMPT 1/4885SMN1; SMN2 334/4885

“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.