SCHEMBL2636340

SCHEMBL2636340

Clc1cnc(C2CCCN2)nc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.43
CHRNA4 P43681 3/20 0.43
CHRNA7 P36544 2/20 0.43
MEN1 O00255 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C19 P33261 2/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2A6 P11509 1/20 0.39
CYP2C9 P11712 1/20 0.39
CHRM5 P08912 3/20 0.37
CHRM3 P20309 3/20 0.37
CHRM2 P08172 3/20 0.37
CHRM1 P11229 2/20 0.37
CHRM4 P08173 2/20 0.37
CHRNA3 P32297 2/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL12644566 0.81 CHRNB2 (0.43) CHRNB2CHRNA4CHRNA7MEN1CYP2D6
SCHEMBL17155268 0.81 CHRNB2 (0.43) CHRNB2CHRNA4CHRNA7MEN1CYP2D6
SCHEMBL3921342 0.78 CHRNB2 (0.52) CHRNB2CHRNA4CHRNA7MEN1CYP2D6
SCHEMBL3921349 0.78 CHRNB2 (0.52) CHRNB2CHRNA4CHRNA7MEN1CYP2D6
SCHEMBL8222045 0.78 CHRNB2 (0.52) CHRNB2CHRNA4CHRNA7MEN1CYP2D6
SCHEMBL27895463 0.77 CHRNB2 (0.44) CHRNB2CHRNA4CHRNA7MEN1CYP2D6
SCHEMBL21916972 0.77 CHRNB2 (0.40) CHRNB2CHRNA4CHRNA7MEN1CYP2D6
SCHEMBL4464643 0.76 CHRNB2 (0.45) CHRNB2CHRNA4CHRNA7MEN1CYP2D6
SCHEMBL38655205 0.73 CHRNB2 (0.37) CHRNB2CHRNA4CHRNA7POLBSMN1; SMN2
SCHEMBL38656657 0.73 CHRNB2 (0.37) CHRNB2CHRNA4CHRNA7POLBSMN1; SMN2

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-9163012-B2 Carbamate and urea inhibitors of 11β-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2015-10-20 US disclosed
EP-2438043-A1 CARBAMATE AND UREA INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 Vitae Pharmaceuticals, Inc. (US) 2012-04-11 EP disclosed
US-20110053943-A1 CARBAMATE AND UREA INHIBITORS OF 11ß-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. 2011-03-03 US disclosed
WO-2010141424-A1 CARBAMATE AND UREA INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2010-12-09 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 (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-20110053943-A1 CARBAMATE AND UREA INHIBITORS OF 11ß-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD11B2, HSD3B1 CHRNB2 2161/4885CHRNA4 2557/4885CHRNA7 2654/4885

“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.