SCHEMBL10288352

SCHEMBL10288352

CCNCc1cc(C(F)(F)F)ccn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.44
NOS2 P35228 1/20 0.44
GLS O94925 7/20 0.42
ALDH1A1 P00352 2/20 0.42
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ADRB2 P07550 1/20 0.41
CYP2D6 P10635 2/20 0.41
PSEN1 P49768 2/20 0.41
PSEN2 P49810 2/20 0.41
APH1B Q8WW43 2/20 0.41
NCSTN Q92542 2/20 0.41
APH1A Q96BI3 2/20 0.41
PSENEN Q9NZ42 2/20 0.41
CYP3A4 P08684 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.40
MBOAT4 Q96T53 1/20 0.39
RIPK1 Q13546 1/20 0.38
TACR1 P25103 1/20 0.37
SLC6A4 P31645 1/20 0.37

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
SCHEMBL24258324 0.87 SIRT2 (0.43) NOS3NOS2GLSALDH1A1GAA
SCHEMBL13185361 0.83 NOS3 (0.47) NOS3NOS2GLSALDH1A1GAA
SCHEMBL10254409 0.81 ADRB2 (0.56) NOS3NOS2GLSALDH1A1GAA
SCHEMBL21503646 0.81 CYP2D6 (0.52) NOS3NOS2ALDH1A1GAAL3MBTL1
SCHEMBL2616106 0.80 NOS3 (0.52) NOS3NOS2GLSALDH1A1GAA
SCHEMBL26913694 0.79 NOS3 (0.47) NOS3NOS2GLSALDH1A1GAA
SCHEMBL13167405 0.79 TRPV3 (0.45) NOS3NOS2GLSALDH1A1GAA
SCHEMBL2259096 0.75 KDM1A (0.47) NOS3NOS2ALDH1A1CYP3A4SIRT2
SCHEMBL10288360 0.75 KDM1A (0.48) GLSGAAL3MBTL1MBOAT4
SCHEMBL30471983 0.75 KDM1A (0.48) GLSGAAL3MBTL1MBOAT4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8372973-B2 Prokineticin 1 receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2013-02-12 US disclosed
US-20120028997-A1 PROKINETICIN 1 RECEPTOR ANTAGONISTS COATS STEVEN J (US) 2012-02-02 US disclosed
US-7902358-B2 Gastrointestinal disorders; inflammatory bowel disorders; gastroesophageal reflux, constipation; diarrhea JANSSEN PHARMACEUTICA NV (BE) 2011-03-08 US disclosed
US-20080287445-A1 Prokineticin 2 receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2008-11-20 US disclosed
US-20080269225-A1 Prokineticin 1 receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2008-10-30 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 (3 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-20120028997-A1 PROKINETICIN 1 RECEPTOR ANTAGONISTS PROKR1, PROKR2, GIPR NOS3 3992/4885NOS2 4153/4885GLS 1606/4885
US-20080269225-A1 Prokineticin 1 receptor antagonists PROKR1, PROKR2, GIPR NOS3 3992/4885NOS2 4153/4885GLS 1606/4885
US-20080287445-A1 Prokineticin 2 receptor antagonists PROKR2, PROKR1, GIPR NOS3 4317/4885NOS2 3606/4885GLS 1261/4885

“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.