SCHEMBL368146

SCHEMBL368146

c1ncn2c1CNCCC2

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 9/20 0.35
CHRNA4 P43681 9/20 0.35
CHRNA1 P02708 1/20 0.33
CHRNA7 P36544 1/20 0.33
FNTA P49354 1/20 0.32
FNTB P49356 1/20 0.32
PGGT1B P53609 1/20 0.32
CXCR4 P61073 1/20 0.30

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
SCHEMBL211637 0.88
Hydrochloric Acid SCHEMBL5775167 0.86 SOD3 (0.33) CHRNB2CHRNA4
SCHEMBL9678234 0.75
Trifluoroacetic Acid SCHEMBL5767649 0.74 PKM (0.35)
SCHEMBL3933129 0.73
SCHEMBL368186 0.71
SCHEMBL343286 0.71 ADRB2 (0.36) CHRNB2CHRNA4CHRNA1CHRNA7CXCR4
SCHEMBL10561694 0.68
SCHEMBL2733929 0.67 HTR2C (0.36) CHRNB2CHRNA4CXCR4
SCHEMBL15828451 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8835422-B2 Substituted imidazoheterocycle derivatives CARA THERAPEUTICS, INC. (US) 2014-09-16 US disclosed
EP-2079728-B1 N-ARYL PYRAZOLE COMPOUNDS FOR USE AGAINST DIABETES AMGEN INC (US) 2013-09-25 EP disclosed
US-20120015930-A1 SUBSTITUTED IMIDAZOHETEROCYCLE DERIVATIVES CARA THERAPEUTICS, INC. (US) 2012-01-19 US disclosed
US-8022061-B2 5-(Methoxymethyl)-1-(5-methyl-4-(thiophen-2-yl)pyrimidin-2-yl)-N-(pyridin-4-ylmethyl)-1H-pyrazole-4-carboxamide; for the treatment or prevention of type 2 diabetes and type 2 diabetes-related conditions AMGEN INC. (US) 2011-09-20 US disclosed
WO-2010068520-A2 SUBSTITUTED IMIDAZOHETEROCYCLE DERIVATIVES CARA THERAPEUTICS, INC. (US) 2010-06-17 WO disclosed
EP-2079728-A1 N-ARYL PYRAZOLE COMPOUNDS FOR USE AGAINST DIABETES Amgen Inc. (US) 2009-07-22 EP disclosed
US-20080153778-A1 N-aryl pyrazole compounds, compositions, and methods for their use AMGEN INC. 2008-06-26 US disclosed
WO-2008045484-A1 N-ARYL PYRAZOLE COMPOUNDS FOR USE AGAINST DIABETES AMGEN INC. (US) 2008-04-17 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-20080153778-A1 N-aryl pyrazole compounds, compositions, and methods for their use GLP1R, GPR119, NAT1 CHRNB2 2542/4885CHRNA4 4077/4885CHRNA1 2569/4885
US-20120015930-A1 SUBSTITUTED IMIDAZOHETEROCYCLE DERIVATIVES CNR1, CNR2, HRH1 CHRNB2 457/4885CHRNA4 358/4885CHRNA1 155/4885

“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.