SCHEMBL4887573

SCHEMBL4887573

C[C@H]1CNCCN1c1cc(-c2cccc(F)c2)ccc1F

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 10/20 0.43
HTR2B P41595 7/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
HTR7 P34969 4/20 0.40
HTR1A P08908 3/20 0.40
HTR2A P28223 3/20 0.40
HTR1D P28221 2/20 0.40
HTR6 P50406 2/20 0.40
HTR1B P28222 1/20 0.40
LATS1 O95835 1/20 0.39
GSK3B P49841 2/20 0.38
HTR3A P46098 1/20 0.37
NISCH Q9Y2I1 1/20 0.36
ALOX5AP P20292 1/20 0.36
FEN1 P39748 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
SCHEMBL4887248 1.00 HTR2C (0.43) HTR2CHTR2BCYP1A2CYP3A4HTR7
SCHEMBL4887917 1.00 HTR2C (0.43) HTR2CHTR2BCYP1A2CYP3A4HTR7
SCHEMBL5630648 0.90 LATS1 (0.41) HTR2CHTR2BCYP1A2CYP3A4HTR7
SCHEMBL5632580 0.90 LATS1 (0.41) HTR2CHTR2BCYP1A2CYP3A4HTR7
SCHEMBL5633086 0.90 LATS1 (0.41) HTR2CHTR2BCYP1A2CYP3A4HTR7
Hydrochloric Acid SCHEMBL5632622 0.89 LATS1 (0.40) HTR2CHTR2BCYP1A2CYP3A4HTR7
Hydrochloric Acid SCHEMBL5631431 0.89 LATS1 (0.40) HTR2CHTR2BCYP1A2CYP3A4HTR7
Hydrochloric Acid SCHEMBL5631426 0.89 LATS1 (0.40) HTR2CHTR2BCYP1A2CYP3A4HTR7
SCHEMBL4884026 0.88 HTR7 (0.42) HTR2CHTR2BCYP1A2CYP3A4HTR7
SCHEMBL4877019 0.88 HTR7 (0.42) HTR2CHTR2BCYP1A2CYP3A4HTR7

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-20080255137-A1 N-Biaryl and N-Arylheteroaryl 2-Substituted Piperazine Derivatives as Modulators of the 5ht2c Receptor Useful for the Treatment of Disorders Related Thereto ARENA PHARMACEUTICALS, INC. (US) 2008-10-16 US disclosed
EP-1831188-A1 N-BIARYL AND N-ARYLHETEROARYL 2-SUBSTITUTED PIPERAZINE DERIVATIVES AS MODULATORS OF THE 5HT2C RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2007-09-12 EP disclosed
WO-2006065706-A9 N-BIARYL AND N-ARYLHETEROARYL 2-SUBSTITUTED PIPERAZINE DERIVATIVES AS MODULATORS OF THE 5HT2C RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARM INC (US) 2007-07-26 WO disclosed
WO-2006065706-A1 N-BIARYL AND N-ARYLHETEROARYL 2-SUBSTITUTED PIPERAZINE DERIVATIVES AS MODULATORS OF THE 5HT2C RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2006-06-22 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-20080255137-A1 N-Biaryl and N-Arylheteroaryl 2-Substituted Piperazine Derivatives as Modulators of the 5ht2c Receptor Useful for the Treatment of Disorders Related Thereto HTR2C, HTR2A, HTR5A HTR2C 1/4885HTR2B 5/4885CYP1A2 30/4885

“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.