SCHEMBL13739819

SCHEMBL13739819

CN(CCCC(N)c1c2ccc(Cl)cc2nc2ccc(F)cc12)CC1CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 6/20 0.34
▸ USP2 O75604 4/20 0.34
▸ TP53 P04637 3/20 0.34
▸ CYP3A4 P08684 3/20 0.34
▸ CASP1 P29466 3/20 0.34
▸ CASP7 P55210 3/20 0.34
▸ HBB P68871 3/20 0.34
▸ HSD17B10 Q99714 3/20 0.34
▸ CYP1A2 P05177 2/20 0.34
▸ CYP2D6 P10635 2/20 0.34
▸ TSHR P16473 2/20 0.34
▸ BRCA1 P38398 2/20 0.34
▸ HIF1A Q16665 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ PRNP P04156 1/20 0.34
▸ CHRM2 P08172 1/20 0.34
▸ CHRM4 P08173 1/20 0.34
▸ ABCB1 P08183 1/20 0.34
▸ HTR1A P08908 1/20 0.34
▸ CHRM5 P08912 1/20 0.34

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
SCHEMBL13740631 0.89 CYP1A2 (0.37) USP2TP53CYP3A4CASP1CASP7
SCHEMBL13737764 0.87 USP2 (0.48) USP2TP53CYP3A4CASP1CASP7
SCHEMBL13740618 0.87 CYP1A2 (0.41) CYP1A2CYP2D6MEN1KMT2AKDM4E
SCHEMBL13739384 0.81 USP2 (0.45) USP2TP53CYP3A4CASP1CASP7
SCHEMBL15732851 0.81 CHRM2 (0.38) USP2TP53CYP3A4CASP1CASP7
SCHEMBL15732882 0.81 ANPEP (0.33) USP2TP53CYP3A4CASP1CASP7
SCHEMBL15732853 0.80 ACHE (0.44) CHRM1ACHE
SCHEMBL15732999 0.80 ACHE (0.47) CHRM1ACHE
SCHEMBL13739508 0.79 CACNA2D1 (0.41) NPC1ADRA2AACHERAB9AKMT2A
SCHEMBL13832347 0.79 MEN1 (0.47) CYP1A2TSHRACHEMEN1KMT2A

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
US-10544100-B2 Autophagy inhibitors TRANSLATIONAL GENOMICS RESEARCH INSTITUTE (US) 2020-01-28 — — US claimed
US-20180290980-A1 Autophagy Inhibitors VAN ANDEL RESEARCH INSTITUTE 2018-10-11 — — US claimed
US-20160137607-A1 Autophagy Inhibitors VAN ANDEL RESEARCH INSTITUTE 2016-05-19 — — US claimed
US-20140148451-A1 Autophagy Inhibitors TRANSLATIONAL GENOMICS RESEARCH INSTITUTE (US) 2014-05-29 — — US claimed
WO-2012154879-A2 AUTOPHAGY INHIBITORS VAN ANDEL RESEARCH INSTITUTE (US) 2012-11-15 — — WO claimed
US-10544100-B2 Autophagy inhibitors TRANSLATIONAL GENOMICS RESEARCH INSTITUTE (US) 2020-01-28 — — US disclosed
US-20180290980-A1 Autophagy Inhibitors VAN ANDEL RESEARCH INSTITUTE 2018-10-11 — — US disclosed
US-20170000784-A1 Autophagy Inhibitors VAN ANDEL RESEARCH INSTITUTE 2017-01-05 — — US disclosed
US-20160137607-A1 Autophagy Inhibitors VAN ANDEL RESEARCH INSTITUTE 2016-05-19 — — US disclosed
US-9221760-B2 Autophagy inhibitors VAN ANDEL RESEARCH INSTITUTE (US) 2015-12-29 — — US disclosed
US-20140148451-A1 Autophagy Inhibitors TRANSLATIONAL GENOMICS RESEARCH INSTITUTE (US) 2014-05-29 — — 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 (5 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-10544100-B2 Autophagy inhibitors BECN1, ATG7, SQSTM1 PTGDR2 4297/4885USP2 2049/4885TP53 564/4885
US-20170000784-A1 Autophagy Inhibitors BRAF, HRAS, NRAS PTGDR2 3034/4885USP2 2797/4885TP53 358/4885
US-20140148451-A1 Autophagy Inhibitors BECN1, ATG7, SQSTM1 PTGDR2 4297/4885USP2 2049/4885TP53 564/4885
US-20160137607-A1 Autophagy Inhibitors BECN1, ATG7, SQSTM1 PTGDR2 4297/4885USP2 2049/4885TP53 564/4885
US-20180290980-A1 Autophagy Inhibitors BECN1, ATG7, SQSTM1 PTGDR2 4297/4885USP2 2049/4885TP53 564/4885

“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.

Send feedback