SCHEMBL10310567

SCHEMBL10310567

C=Cc1ccccc1Cn1nc(C)c(CN(C)CC(O)COc2ccc(Cl)cc2)c1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 1/20 0.72
CYP1A2 P05177 1/20 0.72
CYP2D6 P10635 1/20 0.72
CYP2C9 P11712 1/20 0.72
CYP2C19 P33261 1/20 0.72

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
SCHEMBL10310566 0.92 TLR4 (0.79) TLR4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL10310569 0.91 TLR4 (0.67) TLR4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL10310565 0.90 TLR4 (0.88) TLR4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL10310568 0.90 TLR4 (0.88) TLR4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL10310577 0.85 TLR4 (0.82) TLR4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL10310561 0.85 TLR4 (0.88) TLR4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL10310581 0.84 TLR4 (0.88) TLR4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL1462506 0.84 TLR4 (1.00) TLR4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL10310595 0.84 TLR4 (1.00) TLR4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL10310571 0.83 TLR4 (0.70) TLR4CYP1A2CYP2D6CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150087682-A1 Method for Treating Scleroderma THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2015-03-26 US disclosed
US-20150087682-A1 Method for Treating Scleroderma THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2015-03-26 US disclosed
US-8642614-B2 Toll-like receptor modulators and uses thereof THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2014-02-04 US disclosed
US-8642614-B2 Toll-like receptor modulators and uses thereof THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2014-02-04 US disclosed
US-20120178774-A1 TOLL-LIKE RECEPTOR MODULATORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2012-07-12 US disclosed
US-20120178774-A1 TOLL-LIKE RECEPTOR MODULATORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2012-07-12 US disclosed
WO-2011038152-A2 TOLL-LIKE RECEPTOR MODULATORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2011-03-31 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 (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-20120178774-A1 TOLL-LIKE RECEPTOR MODULATORS AND USES THEREOF TLR4, TLR3, TLR1 TLR4 1/4885CYP1A2 3845/4885CYP2D6 4016/4885
US-20150087682-A1 Method for Treating Scleroderma TLR3, TLR4, TLR5 TLR4 2/4885CYP1A2 4760/4885CYP2D6 4846/4885

“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.