SCHEMBL1237986

SCHEMBL1237986

CCCNCC1CCCN1C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 2/20 0.45
OPRD1 P41143 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
FPR3 P25089 1/20 0.43
FPR2 P25090 1/20 0.43
KDM1A O60341 1/20 0.43
ATM Q13315 2/20 0.43
HSD17B10 Q99714 1/20 0.42
DPP4 P27487 1/20 0.41
POLB P06746 1/20 0.41
NPC1 O15118 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
SCHEMBL27353410 0.96 KDM1A (0.47) SMN1; SMN2ALDH1A1OPRD1MEN1KMT2A
SCHEMBL27353413 0.96 KDM1A (0.47) SMN1; SMN2ALDH1A1OPRD1MEN1KMT2A
SCHEMBL27353429 0.96 KDM1A (0.47) SMN1; SMN2ALDH1A1OPRD1MEN1KMT2A
SCHEMBL18872558 0.89 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1OPRD1MEN1KMT2A
SCHEMBL2486249 0.89 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1OPRD1MEN1KMT2A
SCHEMBL14197698 0.86 KMT2A (0.43) SMN1; SMN2ALDH1A1OPRD1MEN1KMT2A
SCHEMBL24335833 0.85 KDM1A (0.47) SMN1; SMN2ALDH1A1OPRD1FPR3FPR2
SCHEMBL27353552 0.85 KDM1A (0.48) SMN1; SMN2ALDH1A1OPRD1MEN1KMT2A
SCHEMBL27353638 0.85 KDM1A (0.48) SMN1; SMN2ALDH1A1OPRD1MEN1KMT2A
SCHEMBL27353389 0.85 KDM1A (0.48) SMN1; SMN2ALDH1A1OPRD1MEN1KMT2A

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
EP-3225623-A1 SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS Ventirx Pharmaceuticals, Inc. (US) 2017-10-04 EP disclosed
US-9655904-B2 Substituted benzoazepines as toll-like receptor modulators VENTIRX PHARMACEUTICALS, INC. (US) 2017-05-23 US disclosed
EP-2467377-B1 SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS VENTIRX PHARMACEUTICALS INC (US) 2016-12-28 EP disclosed
US-20160129010-A1 Substituted Benzoazepines as Toll-Like Receptor Modulators VENTIRX PHARMACEUTICALS INC (US) 2016-05-12 US disclosed
US-9126940-B2 Substituted benzoazepines as toll-like receptor modulators VENTIRX PHARMACEUTICALS, INC. (US) 2015-09-08 US disclosed
US-20140234376-A1 Substituted Benzoazepines as Toll-Like Receptor Modulators ARRAY BIOPHARMA, INC. (US) 2014-08-21 US disclosed
EP-2467377-A2 SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS Ventirx Pharmaceuticals, Inc. (US) 2012-06-27 EP disclosed
US-20110092485-A1 SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS VENTIRX PHARMACEUTICALS, INC. (US) 2011-04-21 US disclosed
WO-2011022508-A2 SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS VENTIRX PHARMACEUTICALS, INC. (US) 2011-02-24 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-20140234376-A1 Substituted Benzoazepines as Toll-Like Receptor Modulators TLR8, TLR1, TLR7 SMN1; SMN2 3060/4885ALDH1A1 1667/4885OPRD1 669/4885
US-20160129010-A1 Substituted Benzoazepines as Toll-Like Receptor Modulators TLR8, TLR7, TLR9 SMN1; SMN2 3344/4885ALDH1A1 2553/4885OPRD1 504/4885
US-20110092485-A1 SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS TLR8, TLR1, TLR7 SMN1; SMN2 3060/4885ALDH1A1 1667/4885OPRD1 669/4885

“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.