SCHEMBL4886445

SCHEMBL4886445

Fc1cc(Br)cc(-c2ccsc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 6/20 0.53
PDGFRB P09619 3/20 0.42
PDGFRA P16234 3/20 0.42
CYP2B6 P20813 3/20 0.42
CYP2E1 P05181 2/20 0.42
ERN1 O75460 2/20 0.41
KCNH2 Q12809 1/20 0.40
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
PGR P06401 2/20 0.37
DYRK1B Q9Y463 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
CYP17A1 P05093 1/20 0.35
CYP21A2 P08686 1/20 0.35
CYP11B1 P15538 1/20 0.35
ACMSD Q8TDX5 1/20 0.34

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
SCHEMBL3235807 0.86 CYP2A6 (0.50) CYP2A6PDGFRBPDGFRACYP2B6CYP2E1
SCHEMBL15805936 0.78 CHRNB4 (0.50) CHRNB4CHRNA3PGRCYP3A4CYP17A1
SCHEMBL21944861 0.77 ERN1 (0.49) CYP2A6PDGFRBPDGFRACYP2B6CYP2E1
SCHEMBL18002215 0.73 CYP2A6 (0.49) CYP2A6CYP2B6CYP2E1ERN1KCNH2
SCHEMBL4201635 0.73 CYP2A6 (0.49) CYP2A6CYP2B6CYP2E1ERN1KCNH2
SCHEMBL24726656 0.73 PRMT6 (0.44) CYP2A6PDGFRBPDGFRACYP2B6CYP2E1
SCHEMBL27375492 0.73 KCNH2 (0.41) CYP2A6PDGFRBPDGFRACYP2B6CYP2E1
SCHEMBL18001944 0.73 ERN1 (0.53) CYP2A6PDGFRBPDGFRACYP2B6CYP2E1
SCHEMBL31457017 0.73 KCNH2 (0.41) CYP2A6PDGFRBPDGFRACYP2B6CYP2E1
SCHEMBL8964882 0.73 PGR (0.43) CHRNB4CHRNA3PGRNPC1RAB9A

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 9 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-20080119477-A1 N-Biaryl and N-Arylheteroaryl Piperazine Derivatives as Modulators of the 5Ht2c Receptor Useful For the Treatment of Disorders Related Thereto ARENA PHARMACEUTICALS, INC. 2008-05-22 US disclosed
CN-101084205-A N-biaryl and n-arylheteroaryl 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
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
EP-1828156-A2 N-BIARYL AND N-ARYLHETEROARYL PIPERAZINE DERIVATIVES AS MODULATORS OF THE 5HT2C RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2007-09-05 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
WO-2006065600-A2 N-BIARYL AND N-ARYLHETEROARYL 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 (2 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 CYP2A6 189/4885PDGFRB 454/4885PDGFRA 414/4885
US-20080119477-A1 N-Biaryl and N-Arylheteroaryl Piperazine Derivatives as Modulators of the 5Ht2c Receptor Useful For the Treatment of Disorders Related Thereto HTR2C, HTR2A, HTR5A CYP2A6 184/4885PDGFRB 467/4885PDGFRA 392/4885

“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.