SCHEMBL4440940

SCHEMBL4440940

[CH]1CCCC[C@H]1OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CTSK P43235 1/20 0.39
TSHR P16473 1/20 0.39
OPRM1 P35372 2/20 0.39
OPRL1 P41146 2/20 0.39
DPP4 P27487 1/20 0.39
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
SGMS2 Q8NHU3 1/20 0.38
FOXM1 Q08050 1/20 0.38
TMEM97 Q5BJF2 1/20 0.37
CARM1 Q86X55 1/20 0.37

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
SCHEMBL12077141 1.00 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2767536 1.00 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL10955709 0.98 CTSL (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1061761 0.95 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1857531 0.95 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1066978 0.95 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL15748046 0.81 CTSL (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL355570 0.79 OPRM1 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2126154 0.77 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL61112 0.77 CTSL (0.56) PSEN1PSEN2APH1BNCSTNAPH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8710048-B2 6-O-substituted benzoxazole and benzothiazole compounds and methods of inhibiting CSF-1R signaling NOVARTIS AG (CH) 2014-04-29 US disclosed
US-20120225861-A1 6-O-Substituted Benzoxazole and Benzothiazole Compounds and Methods of Inhibiting CSF-1R Signaling NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2012-09-06 US disclosed
EP-2069517-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE 2-BENZYLOXYCYCLOHEXYLAMINE BASF SE (DE) 2009-06-17 EP disclosed
WO-2008031852-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE 2-BENZYLOXYCYCLOHEXYLAMINE BASF SE (DE) 2008-03-20 WO disclosed
US-6664259-B2 Diphenyl urea compounds for treating a chemokine mediated disease; interleukin-8 (il-8) SMITHKLINE BEECHAM CORPORATION 2003-12-16 US disclosed
US-20030078250-A1 Il-8 receptor antagonists SMITHKLINE BEECHAM CORPORATION 2003-04-24 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 (2 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-20030078250-A1 Il-8 receptor antagonists CXCL8, CCR8, IL1RN PSEN1 4126/4885PSEN2 3972/4885APH1B 2725/4885
US-20120225861-A1 6-O-Substituted Benzoxazole and Benzothiazole Compounds and Methods of Inhibiting CSF-1R Signaling CSF1R, CSF3R, FLT3 PSEN1 2437/4885PSEN2 3463/4885APH1B 4412/4885

“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.