SCHEMBL10130798

SCHEMBL10130798

CNc1cccc(-c2ccc(CC(C)C)s2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV3 Q8NET8 1/20 0.39
KCNH2 Q12809 1/20 0.38
SCN5A Q14524 1/20 0.38
ITGB3 P05106 1/20 0.35
ITGB1 P05556 1/20 0.35
ITGAV P06756 1/20 0.35
ITGA5 P08648 1/20 0.35
PRKCI P41743 1/20 0.35
CYP2D6 P10635 1/20 0.33
CYP2A6 P11509 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
APLNR P35414 3/20 0.32
AKT3 Q9Y243 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
CNR1 P21554 1/20 0.32

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
SCHEMBL10162508 0.83 KCNH2 (0.44) TRPV3KCNH2SCN5APRKCICYP2D6
SCHEMBL10130716 0.82 KDM4E (0.43) TRPV3SMN1; SMN2ALDH1A1HPGDCNR1
SCHEMBL10130623 0.80 CCR1 (0.47) TRPV3PRKCICYP2A6CYP2C9CYP2C19
SCHEMBL10130760 0.80 IDH1 (0.46) TRPV3CYP2A6CYP2C9CYP2C19ALDH1A1
SCHEMBL10130788 0.77 DYRK1A (0.35) TRPV3CYP2D6CYP2A6CYP2C19ALDH1A1
SCHEMBL10130800 0.77 PDE10A (0.39) APLNRIDH1
SCHEMBL10130820 0.75 IDH1 (0.40) TRPV3PRKCIALDH1A1HPGDAPLNR
SCHEMBL10130562 0.72 KDM4E (0.58) SMN1; SMN2ALDH1A1HPGD
SCHEMBL3151894 0.71 NCF1 (0.48) KCNH2SCN5ACYP2C19SMN1; SMN2CNR1
SCHEMBL13749525 0.71 CYP2A6 (0.58) CYP2D6CYP2A6CYP2C9CYP2C19ALDH1A1

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-20140135485-A1 6-11 BICYCLIC KETOLIDE DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2014-05-15 US disclosed
US-20120035352-A1 6-11 Bicyclic Ketolide Derivatives OR YAT SUN (US) 2012-02-09 US disclosed
EP-1506214-B1 6-11 BICYCLIC KETOLIDE DERIVATIVES ENANTA PHARM INC (US) 2010-01-20 EP disclosed
US-20090324577-A1 6-11 Bicyclic Ketolide Derivatives OR YAT SUN 2009-12-31 US disclosed
US-20070244160-A1 6-11 Bicyclic Ketolide Derivatives OR YAT SUN 2007-10-18 US disclosed
US-7273853-B2 6-11 bicyclic ketolide derivatives ENANTA PHARMACEUTICALS, INC. (US) 2007-09-25 US disclosed
US-7189704-B2 6-11 bicyclic ketolide derivatives ENANTA PHARMACEUTICALS, INC. (US) 2007-03-13 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 (4 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-20140135485-A1 6-11 BICYCLIC KETOLIDE DERIVATIVES AKR1C2, AKR1C3, AKR1C1 TRPV3 2577/4885KCNH2 341/4885SCN5A 1278/4885
US-20120035352-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 TRPV3 2577/4885KCNH2 341/4885SCN5A 1278/4885
US-20070244160-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 TRPV3 2577/4885KCNH2 341/4885SCN5A 1278/4885
US-20090324577-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 TRPV3 2577/4885KCNH2 341/4885SCN5A 1278/4885

“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.