SCHEMBL4889665

SCHEMBL4889665

C[C@H]1CNCCN1c1cc(F)cc(-c2cccnc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.43
LATS1 O95835 1/20 0.43
CYP17A1 P05093 1/20 0.42
CYP21A2 P08686 1/20 0.42
CYP11B1 P15538 1/20 0.42
GSK3B P49841 4/20 0.42
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
PIM1 P11309 1/20 0.39
PIM3 Q86V86 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
CYP3A4 P08684 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.39
ADAMTS5 Q9UNA0 1/20 0.38
PRKD3 O94806 1/20 0.38
PRKCG P05129 1/20 0.38
PRKCB P05771 1/20 0.38
PRKCA P17252 1/20 0.38
PRKACA P17612 1/20 0.38

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
SCHEMBL4880089 1.00 GRM5 (0.43) GRM5LATS1CYP17A1CYP21A2CYP11B1
SCHEMBL4881021 1.00 GRM5 (0.43) GRM5LATS1CYP17A1CYP21A2CYP11B1
SCHEMBL4886472 0.86 HTR7 (0.44) GRM5GSK3BCYP3A4CYP1A2HTR1A
SCHEMBL4886468 0.86 HTR7 (0.44) GRM5GSK3BCYP3A4CYP1A2HTR1A
SCHEMBL4890068 0.86 HTR7 (0.44) GRM5GSK3BCYP3A4CYP1A2HTR1A
SCHEMBL4881202 0.84 HTR7 (0.46) GRM5GSK3BCYP3A4CYP1A2HTR1A
SCHEMBL4885654 0.84 HTR7 (0.46) GRM5GSK3BCYP3A4CYP1A2HTR1A
SCHEMBL4881190 0.84 HTR7 (0.46) GRM5GSK3BCYP3A4CYP1A2HTR1A
SCHEMBL4889730 0.82 HTR7 (0.48) LATS1GSK3BHTR1AHTR2AHTR2C
SCHEMBL4887636 0.82 HTR7 (0.48) LATS1GSK3BHTR1AHTR2AHTR2C

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
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-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 GRM5 199/4885LATS1 4296/4885CYP17A1 92/4885

“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.