SCHEMBL5632306

SCHEMBL5632306

C[C@@H]1CN(C)CCN1c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.45
ADRB1 P08588 1/20 0.44
MAPK13 O15264 1/20 0.41
BRAF P15056 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 0.41
MAPK14 Q16539 1/20 0.41
PIK3C3 Q8NEB9 2/20 0.40
CCR2 P41597 1/20 0.37
DPP4 P27487 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HTR2C P28335 2/20 0.35
HTR2A P28223 1/20 0.35
HTR2B P41595 1/20 0.35
GSK3B P49841 2/20 0.35
HIF1A Q16665 1/20 0.35
FFAR4 Q5NUL3 2/20 0.34
MAPK1 P28482 1/20 0.34
GCKR Q14397 2/20 0.33
GHSR Q92847 1/20 0.33

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
SCHEMBL5632218 1.00 TRPV4 (0.45) TRPV4ADRB1MAPK13BRAFMAPK12
SCHEMBL5632213 1.00 TRPV4 (0.45) TRPV4ADRB1MAPK13BRAFMAPK12
Trifluoroacetic Acid SCHEMBL5632963 0.90 MAPK13 (0.42) TRPV4ADRB1MAPK13BRAFMAPK12
Trifluoroacetic Acid SCHEMBL5632900 0.90 MAPK13 (0.42) TRPV4ADRB1MAPK13BRAFMAPK12
SCHEMBL5632187 0.85 ALDH1A1 (0.50) TRPV4ALDH1A1HTR2CHTR2AHTR2B
SCHEMBL5632192 0.85 ALDH1A1 (0.50) TRPV4ALDH1A1HTR2CHTR2AHTR2B
SCHEMBL5632737 0.85 ALDH1A1 (0.50) TRPV4ALDH1A1HTR2CHTR2AHTR2B
SCHEMBL5630781 0.84 TRPV4 (0.53) TRPV4PIK3C3HTR2CHTR2AHTR2B
SCHEMBL5633089 0.84 TRPV4 (0.53) TRPV4PIK3C3HTR2CHTR2AHTR2B
SCHEMBL5630774 0.84 TRPV4 (0.53) TRPV4PIK3C3HTR2CHTR2AHTR2B

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-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
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 946/4885ADRB1 49/4885MAPK13 3932/4885

“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.