SCHEMBL4359676

SCHEMBL4359676

Fc1ccc(C2CCCC(c3ccc(F)cc3)N2c2ccncc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.41
NR3C2 P08235 1/20 0.41
CACNA1H O95180 4/20 0.40
CACNA1C Q13936 4/20 0.40
CACNA1G O43497 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CACNA1I Q9P0X4 1/20 0.40
CHKA P35790 1/20 0.40
MAPK14 Q16539 1/20 0.39
DPP4 P27487 1/20 0.39
DPP8 Q6V1X1 1/20 0.39
DPP9 Q86TI2 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 2/20 0.38
KMT2A Q03164 2/20 0.38
ATM Q13315 2/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL4129691 0.80 NR3C2 (0.52) TRPA1NR3C2CACNA1HCACNA1CCACNA1G
SCHEMBL16724547 0.76 RORC (0.44) TRPA1CACNA1HCACNA1CCACNA1GCYP3A4
SCHEMBL1982307 0.72 ALDH1A1 (0.56) TRPA1KDM4EKMT2AATMMEN1
SCHEMBL1982996 0.72 ALDH1A1 (0.56) TRPA1KDM4EKMT2AATMMEN1
SCHEMBL15876393 0.72 ALDH1A1 (0.56) TRPA1KDM4EKMT2AATMMEN1
SCHEMBL1983664 0.72 TSHR (0.49) CACNA1HCACNA1CCYP3A4CYP2C9KDM4E
SCHEMBL1987454 0.72 ALDH1A1 (0.56) TRPA1KDM4EKMT2AATMMEN1
SCHEMBL27383243 0.71 CACNA1H (0.40) NR3C2CACNA1HCACNA1CCACNA1GCYP3A4
SCHEMBL4522287 0.68 ALDH1A1 (0.48) TRPA1SMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL2585749 0.68 ALDH1A1 (0.48) TRPA1SMN1; SMN2KMT2AMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7622486-B2 Pyridine compounds, process for their preparation and compositions containing them REDDY US THERAPEUTICS, INC. (US) 2009-11-24 US disclosed
US-20060084644-A1 Novel pyridine compounds, process for their preparation and compositions containing them DR. REDDY'S LABORATORIES LTD. (IN) 2006-04-20 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 (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-20060084644-A1 Novel pyridine compounds, process for their preparation and compositions containing them LDLR, LRP6, PLPBP TRPA1 2494/4885NR3C2 2415/4885CACNA1H 4610/4885

“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.