SCHEMBL5631228

SCHEMBL5631228

CC1CNCCN1c1cccc(C(F)(F)F)c1F

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 17/20 0.52
HTR2B P41595 12/20 0.52
HTR2A P28223 11/20 0.52
KCNH2 Q12809 1/20 0.44
NOTUM Q6P988 1/20 0.41
HTR6 P50406 1/20 0.41
NCF1 P14598 1/20 0.40
EPHX2 P34913 1/20 0.39

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
SCHEMBL5632309 1.00 HTR2C (0.52) HTR2CHTR2BHTR2AKCNH2NOTUM
SCHEMBL5631221 1.00 HTR2C (0.52) HTR2CHTR2BHTR2AKCNH2NOTUM
Hydrochloric Acid SCHEMBL5631819 0.99 HTR2C (0.54) HTR2CHTR2BHTR2AKCNH2NOTUM
Hydrochloric Acid SCHEMBL5631825 0.99 HTR2C (0.54) HTR2CHTR2BHTR2AKCNH2NOTUM
Hydrochloric Acid SCHEMBL5633047 0.99 HTR2C (0.54) HTR2CHTR2BHTR2AKCNH2NOTUM
SCHEMBL14442452 0.86 HTR2C (0.46) HTR2CHTR2BHTR2AHTR6
SCHEMBL14442453 0.86 HTR2C (0.46) HTR2CHTR2BHTR2AHTR6
SCHEMBL4890371 0.81 HTR2C (0.47) HTR2CHTR2BHTR2A
SCHEMBL4890376 0.81 HTR2C (0.47) HTR2CHTR2BHTR2A
SCHEMBL5632098 0.81 HTR2C (0.47) HTR2CHTR2BHTR2A

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 10 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 claimed
CN-1809545-A N-phenyl-piperazine derivatives and methods of prophylaxis or treatment of 5HT2c ARENA PHARM INC (US) 2006-07-26 CN claimed
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 claimed
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 claimed
US-20210052600-A1 THERAPEUTIC AGENTS FOR STRESS URINARY INCONTINENCE AND INCOTINENCE OF FECES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-02-25 US disclosed
EP-3733204-A1 THERAPEUTIC AGENT FOR STRESS URINARY INCONTINENCE AND FECAL INCONTINENCE Takeda Pharmaceutical Company Limited (JP) 2020-11-04 EP 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 HTR2C 1/4885HTR2B 4/4885HTR2A 2/4885

“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.