SCHEMBL5632253

SCHEMBL5632253

CC1CN(C)CCN1c1cccc(C(F)(F)F)c1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.48
HTR2C P28335 2/20 0.48
HTR2B P41595 2/20 0.48
NOTUM Q6P988 2/20 0.45
HSD11B1 P28845 2/20 0.37
TRPV4 Q9HBA0 1/20 0.37
HTR1D P28221 4/20 0.36
HTR1B P28222 3/20 0.36
KMT2A Q03164 3/20 0.35
LMNA P02545 2/20 0.35
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 2/20 0.35
TP53 P04637 2/20 0.35
CYP3A4 P08684 2/20 0.35
ALDH1A1 P00352 2/20 0.35
DRD2 P14416 2/20 0.35
USP2 O75604 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL5632251 1.00 HTR2A (0.48) HTR2AHTR2CHTR2BNOTUMHSD11B1
SCHEMBL5632281 1.00 HTR2A (0.48) HTR2AHTR2CHTR2BNOTUMHSD11B1
Trifluoroacetic Acid SCHEMBL5630216 0.92 NOTUM (0.50) HTR2AHTR2CHTR2BNOTUMHSD11B1
SCHEMBL5630502 0.77 HTR2A (0.44) HTR2AHTR2CHTR2BNOTUMHTR1D
SCHEMBL5631707 0.77 HTR2A (0.44) HTR2AHTR2CHTR2BNOTUMHTR1D
SCHEMBL5632308 0.77 HTR2A (0.44) HTR2AHTR2CHTR2BNOTUMHTR1D
SCHEMBL5632309 0.77 HTR2C (0.52) HTR2AHTR2CHTR2BNOTUMHTR6
SCHEMBL5631221 0.77 HTR2C (0.52) HTR2AHTR2CHTR2BNOTUMHTR6
SCHEMBL5631228 0.77 HTR2C (0.52) HTR2AHTR2CHTR2BNOTUMHTR6
Hydrochloric Acid SCHEMBL5633047 0.76 HTR2C (0.54) HTR2AHTR2CHTR2BNOTUMHTR6

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 4 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
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 HTR2A 2/4885HTR2C 1/4885HTR2B 4/4885

“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.