SCHEMBL3673693

SCHEMBL3673693

CCCCC#Cc1cccnc1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 5/20 0.69
CHRNA4 P43681 5/20 0.69
CYP2A6 P11509 4/20 0.60
CYP2C9 P11712 4/20 0.60
CYP2C19 P33261 4/20 0.60
CYP2B6 P20813 3/20 0.60
CYP3A4 P08684 3/20 0.59
CYP2D6 P10635 3/20 0.59
CYP2E1 P05181 2/20 0.59
CYP1A2 P05177 1/20 0.57
CYP2C8 P10632 1/20 0.57
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
GRM5 P41594 1/20 0.44
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
DRD3 P35462 1/20 0.44
CYP19A1 P11511 1/20 0.44

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
SCHEMBL3064618 0.95 CHRNB2 (0.67) CHRNB2CHRNA4CYP2A6CYP2C9CYP2C19
SCHEMBL29187190 0.93 CHRNB2 (0.65) CHRNB2CHRNA4CYP2A6CYP2C9CYP2C19
SCHEMBL14085289 0.89 CHRNB2 (0.69) CHRNB2CHRNA4CYP2A6CYP2C9CYP2C19
SCHEMBL15921874 0.89 CHRNB2 (0.64) CHRNB2CHRNA4CYP2A6CYP2C9CYP2C19
SCHEMBL3044684 0.87 CHRNB2 (0.70) CHRNB2CHRNA4CYP2A6CYP2C9CYP2C19
SCHEMBL1841748 0.83 CHRNB2 (0.64) CHRNB2CHRNA4CYP2A6CYP2C9CYP2C19
SCHEMBL23014879 0.82 CHRNB2 (0.56) CHRNB2CHRNA4CYP2A6CYP2C9CYP2C19
SCHEMBL23014820 0.82 CHRNB2 (0.56) CHRNB2CHRNA4CYP2A6CYP2C9CYP2C19
SCHEMBL7052162 0.82 CYP2A6 (0.68) CHRNB2CHRNA4CYP2A6CYP2C9CYP2C19
SCHEMBL9262058 0.81 CHRNB2 (0.62) CHRNB2CHRNA4CYP2A6CYP2C9CYP2C19

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-8993470-B2 Catalysts for the alkyne metathesis STUDIENGESELLSCHAFT KOHLE MBH (DE) 2015-03-31 US disclosed
US-8993470-B2 Catalysts for the alkyne metathesis STUDIENGESELLSCHAFT KOHLE MBH (DE) 2015-03-31 US disclosed
EP-2556078-B1 CATALYSTS FOR ALKYNE METATHESIS STUDIENGESELLSCHAFT KOHLE MBH (DE) 2014-09-24 EP disclosed
US-20130144102-A1 CATALYSTS FOR THE ALKYNE METATHESIS STUDIENGESELLSCHAFT KOHLE MBH (DE) 2013-06-06 US disclosed
US-20130144102-A1 CATALYSTS FOR THE ALKYNE METATHESIS STUDIENGESELLSCHAFT KOHLE MBH (DE) 2013-06-06 US disclosed
US-8299262-B2 Pyridylmethyl-sulfonamide compounds BASF SE (DE) 2012-10-30 US disclosed
US-20100249077-A1 Pyridylmethyl-Sulfonamide Compounds BASF SE (DE) 2010-09-30 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-20130144102-A1 CATALYSTS FOR THE ALKYNE METATHESIS MSH6, AP3M1, PMS2 CHRNB2 3178/4885CHRNA4 4363/4885CYP2A6 796/4885
US-20100249077-A1 Pyridylmethyl-Sulfonamide Compounds CBR3, CBR1, CBS CHRNB2 2999/4885CHRNA4 2029/4885CYP2A6 1071/4885

“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.