SCHEMBL675701

SCHEMBL675701

Clc1cnc2[nH]c3ccc(CCC4CCCCC4)cc3c2c1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
OPRL1 P41146 1/20 0.36
CHEK1 O14757 10/20 0.36
ACHE P22303 6/20 0.36
SLC6A4 P31645 1/20 0.36
PDGFRB P09619 1/20 0.36
PDGFRA P16234 1/20 0.36
BRS3 P32247 1/20 0.35
UTS2R Q9UKP6 1/20 0.35

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
SCHEMBL676267 0.81 TBK1 (0.36) OPRM1OPRD1OPRK1OPRL1PDGFRB
SCHEMBL674984 0.80 UTS2R (0.44) OPRM1OPRD1OPRK1OPRL1BRS3
SCHEMBL3400154 0.74 BCHE (0.39) ACHE
SCHEMBL15873503 0.73 CHUK (0.54) CHEK1PDGFRBPDGFRAUTS2R
SCHEMBL676121 0.71 PIKFYVE (0.43) CHEK1ACHEPDGFRBPDGFRA
SCHEMBL27821850 0.70 CHEK1 (0.39) CHEK1ACHEUTS2R
SCHEMBL27841155 0.70 KDM4E (0.40) CHEK1ACHEUTS2R
SCHEMBL676908 0.68 CNR1 (0.52)
SCHEMBL21622788 0.68 MAOB (0.55) OPRM1OPRL1SLC6A4
SCHEMBL20685545 0.68 CHEK1 (0.48) CHEK1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8895744-B2 Alfa-carboline inhibitors of NPM-ALK, RET, and Bcr-Abl UNIVERSITA' DEGLI STUDI DI MILANO-BICOCCA (IT) 2014-11-25 US disclosed
US-20110281862-A1 ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL UNIVERSITA' DEGLI STUDI DI MILANO - BICOCCA (IT) 2011-11-17 US disclosed
WO-2010025872-A2 ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL UNIVERSITA' DEGLI STUDI DI MILANO-BICOCCA (IT) 2010-03-11 WO disclosed
EP-2161271-A1 Alpha-carboline inhibitors of NMP-ALK, RET, and Bcr-Abl Università Degli Studi Di Milano - Bicocca (IT) 2010-03-10 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-20110281862-A1 ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL ALK, BCR, NPM1 OPRM1 920/4885OPRD1 1335/4885OPRK1 1440/4885

“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.