SCHEMBL5633089

SCHEMBL5633089

C[C@H]1CN(C)CCN1c1ccc(C(F)(F)F)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 2/20 0.53
GCKR Q14397 2/20 0.46
MAPK1 P28482 1/20 0.40
NOTUM Q6P988 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HTR2A P28223 2/20 0.38
HTR2C P28335 2/20 0.38
HTR2B P41595 1/20 0.38
GSK3B P49841 2/20 0.38
CHKA P35790 1/20 0.38
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
SMO Q99835 1/20 0.36
MC4R P32245 1/20 0.36
GRM2 Q14416 1/20 0.36
PIK3C3 Q8NEB9 1/20 0.36
GSK3A P49840 1/20 0.36

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
SCHEMBL5630774 1.00 TRPV4 (0.53) TRPV4GCKRMAPK1NOTUMHDAC1
SCHEMBL5630781 1.00 TRPV4 (0.53) TRPV4GCKRMAPK1NOTUMHDAC1
Trifluoroacetic Acid SCHEMBL5630798 0.90 TRPV4 (0.49) TRPV4GCKRMAPK1NOTUMDRD2
Trifluoroacetic Acid SCHEMBL5631156 0.90 TRPV4 (0.49) TRPV4GCKRMAPK1NOTUMDRD2
SCHEMBL5632218 0.84 TRPV4 (0.45) TRPV4GCKRMAPK1HTR2AHTR2C
SCHEMBL5632213 0.84 TRPV4 (0.45) TRPV4GCKRMAPK1HTR2AHTR2C
SCHEMBL5632306 0.84 TRPV4 (0.45) TRPV4GCKRMAPK1HTR2AHTR2C
SCHEMBL5632187 0.82 ALDH1A1 (0.50) TRPV4NOTUMHTR2AHTR2CHTR2B
SCHEMBL5632737 0.82 ALDH1A1 (0.50) TRPV4NOTUMHTR2AHTR2CHTR2B
SCHEMBL5632192 0.82 ALDH1A1 (0.50) TRPV4NOTUMHTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070179155-A1 N-phenyl-piperazine derivatives and methods of prophylaxis or treatment of 5ht2c receptor associated diseases ARENA PHARMACEUTICALS, INC. 2007-08-02 US disclosed
US-20070179155-A1 N-phenyl-piperazine derivatives and methods of prophylaxis or treatment of 5ht2c receptor associated diseases ARENA PHARMACEUTICALS, INC. 2007-08-02 US disclosed
US-20070179155-A1 N-phenyl-piperazine derivatives and methods of prophylaxis or treatment of 5ht2c receptor associated diseases ARENA PHARMACEUTICALS, INC. 2007-08-02 US disclosed
CN-1809545-A N-phenyl-piperazine derivatives and methods of prophylaxis or treatment of 5HT2c ARENA PHARM INC (US) 2006-07-26 CN disclosed
EP-1644347-A1 N-PHENYL-PIPERAZINE DERIVATIVES AND METHODS OF PROPHYLAXIS OR TREATMENT OF 5HT sb 2C /sb RECEPTOR ASSOCIATED DISEASES Arena Pharmaceuticals, Inc. (US) 2006-04-12 EP disclosed
WO-2005016902-A1 N-PHENYL-PIPERAZINE DERIVATIVES AND METHODS OF PROPHYLAXIS OR TREATMENT OF 5HT2C RECEPTOR ASSOCIATED DISEASES ARENA PHARMACEUTICALS, INC. (US) 2005-02-24 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 (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-20070179155-A1 N-phenyl-piperazine derivatives and methods of prophylaxis or treatment of 5ht2c receptor associated diseases HTR2C, HTR2A, HTR5A TRPV4 946/4885GCKR 799/4885MAPK1 3327/4885

“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.