SCHEMBL4877019

SCHEMBL4877019

C[C@H]1CNCCN1c1cc(-c2ccc(F)cc2)ccc1F

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.42
HTR1A P08908 1/20 0.42
LATS1 O95835 1/20 0.41
HTR2C P28335 9/20 0.41
HTR2B P41595 5/20 0.41
HTR2A P28223 4/20 0.41
HTR6 P50406 1/20 0.40
GSK3B P49841 2/20 0.37
RAD52 P43351 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
ROCK2 O75116 1/20 0.36
KCNH2 Q12809 1/20 0.36
BRPF1 P55201 2/20 0.35
BRD4 O60885 1/20 0.35
BRD1 O95696 1/20 0.35
BRPF3 Q9ULD4 1/20 0.35

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
SCHEMBL4884026 1.00 HTR7 (0.42) HTR7HTR1ALATS1HTR2CHTR2B
SCHEMBL4877032 1.00 HTR7 (0.42) HTR7HTR1ALATS1HTR2CHTR2B
SCHEMBL5632580 0.91 LATS1 (0.41) HTR7HTR1ALATS1HTR2CHTR2B
SCHEMBL5633086 0.91 LATS1 (0.41) HTR7HTR1ALATS1HTR2CHTR2B
SCHEMBL5630648 0.91 LATS1 (0.41) HTR7HTR1ALATS1HTR2CHTR2B
Hydrochloric Acid SCHEMBL5631426 0.90 LATS1 (0.40) HTR7HTR1ALATS1HTR2CHTR2B
Hydrochloric Acid SCHEMBL5631431 0.90 LATS1 (0.40) HTR7HTR1ALATS1HTR2CHTR2B
Hydrochloric Acid SCHEMBL5632622 0.90 LATS1 (0.40) HTR7HTR1ALATS1HTR2CHTR2B
SCHEMBL5631031 0.89 HTR2C (0.51) LATS1HTR2CHTR2BHTR2AHTR6
SCHEMBL5631025 0.89 HTR2C (0.51) LATS1HTR2CHTR2BHTR2AHTR6

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 HTR7 11/4885HTR1A 9/4885LATS1 4296/4885

“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.