SCHEMBL4885558

SCHEMBL4885558

C[C@@H]1CNCCN1c1ccc(F)c(-c2ccccc2)c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.43
HTR2C P28335 8/20 0.40
HTR2B P41595 5/20 0.40
SLC6A2 P23975 7/20 0.40
SLC6A4 P31645 7/20 0.40
SLC6A3 Q01959 7/20 0.40
CYP2D6 P10635 1/20 0.40
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
HTR2A P28223 4/20 0.37
ALOX5AP P20292 2/20 0.36
FEN1 P39748 2/20 0.36
PIK3C3 Q8NEB9 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
SCHEMBL4885161 1.00 RAD52 (0.43) RAD52HTR2CHTR2BSLC6A2SLC6A4
SCHEMBL4890361 1.00 RAD52 (0.43) RAD52HTR2CHTR2BSLC6A2SLC6A4
SCHEMBL4881167 0.86 LATS1 (0.43) RAD52
SCHEMBL4881181 0.86 LATS1 (0.43) RAD52
SCHEMBL4887652 0.86 LATS1 (0.43) RAD52
SCHEMBL5632465 0.82 RAD52 (0.49) RAD52HTR2CHTR2BCYP1A2CYP3A4
SCHEMBL5630960 0.82 RAD52 (0.49) RAD52HTR2CHTR2BCYP1A2CYP3A4
SCHEMBL5630952 0.82 RAD52 (0.49) RAD52HTR2CHTR2BCYP1A2CYP3A4
SCHEMBL17884666 0.82 ADAMTS5 (0.50) RAD52SLC6A2SLC6A4SLC6A3CYP2D6
Hydrochloric Acid SCHEMBL5631799 0.81 RAD52 (0.51) RAD52HTR2CHTR2BCYP1A2CYP3A4

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 8 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
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
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
CN-101084206-A 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) 2007-12-05 CN 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-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 RAD52 2423/4885HTR2C 1/4885HTR2B 5/4885

“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.