SCHEMBL15948903

SCHEMBL15948903

Cc1ccc(Cl)c(OC[C@@H]2CCCN2C)c1

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 6/20 0.56
CHRNA3 P32297 6/20 0.56
CHRNB2 P17787 5/20 0.55
CHRNA4 P43681 5/20 0.55
CHRNB1 P11230 4/20 0.55
CHRNB3 Q05901 4/20 0.55

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
SCHEMBL13861974 1.00 CHRNB4 (0.56) CHRNB4CHRNA3CHRNB2CHRNA4CHRNB1
SCHEMBL4359511 0.85 CHRNB4 (0.54) CHRNB4CHRNA3CHRNB2CHRNA4CHRNB1
SCHEMBL521428 0.85 CHRNB4 (0.54) CHRNB4CHRNA3CHRNB2CHRNA4CHRNB1
SCHEMBL20376164 0.85 CHRNB4 (0.54) CHRNB4CHRNA3CHRNB2CHRNA4CHRNB1
SCHEMBL20201664 0.84 CHRNB4 (0.56) CHRNB4CHRNA3CHRNB2CHRNA4CHRNB1
SCHEMBL10196599 0.84 CHRNB4 (0.71) CHRNB4CHRNA3CHRNB2CHRNA4CHRNB1
SCHEMBL20201653 0.84 CHRNB4 (0.56) CHRNB4CHRNA3CHRNB2CHRNA4CHRNB1
SCHEMBL15946938 0.83 CHRNB4 (0.52) CHRNB4CHRNA3CHRNB2CHRNA4CHRNB1
SCHEMBL10873425 0.82 CHRNB2 (0.59) CHRNB4CHRNA3CHRNB2CHRNA4CHRNB1
SCHEMBL2035662 0.81 CHRNB4 (0.56) CHRNB4CHRNA3CHRNB2CHRNA4CHRNB1

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-9833455-B2 Preparation and methods of use for ortho-aryl 5-membered heteroaryl-carboxamide containing multi-targeted kinase inhibitors SPACEFILL ENTERPRISES LLC (US) 2017-12-05 US disclosed
US-20160303128-A1 PREPARATION AND METHODS OF USE FOR ORTHO-ARYL 5-MEMBERED HETEROARYL-CARBOXAMIDE CONTAINING MULTI-TARGETED KINASE INHIBITORS VIBLIOME THERAPEUTICS, LLC 2016-10-20 US disclosed
US-9221805-B2 Preparation and methods of use for ortho-aryl 5-membered heteroaryl-carboxamide containing multi-targeted kinase inhibitors Spacefill Enterprises LLP (US) 2015-12-29 US disclosed
US-20140228367-A1 PREPARATION AND METHODS OF USE FOR ORTHO-ARYL 5-MEMBERED HETEROARYL-CARBOXAMIDE CONTAINING MULTI-TARGETED KINASE INHIBITORS VIBLIOME THERAPEUTICS, LLC 2014-08-14 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-20160303128-A1 PREPARATION AND METHODS OF USE FOR ORTHO-ARYL 5-MEMBERED HETEROARYL-CARBOXAMIDE CONTAINING MULTI-TARGETED KINASE INHIBITORS ABL1, ERBB2, MAP3K2 CHRNB4 3785/4885CHRNA3 3915/4885CHRNB2 2707/4885
US-20140228367-A1 PREPARATION AND METHODS OF USE FOR ORTHO-ARYL 5-MEMBERED HETEROARYL-CARBOXAMIDE CONTAINING MULTI-TARGETED KINASE INHIBITORS ABL1, ERBB2, MAP3K2 CHRNB4 3785/4885CHRNA3 3915/4885CHRNB2 2707/4885

“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.