SCHEMBL4887649

SCHEMBL4887649

C[C@H]1CNCCN1c1cc(F)cc(-c2ccoc2)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 1/20 0.42
GSK3B P49841 4/20 0.36
RAD52 P43351 1/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP2D6 P10635 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
HTR2C P28335 6/20 0.35
HTR2B P41595 4/20 0.35
HTR2A P28223 2/20 0.35
LATS1 O95835 1/20 0.34
PBRM1 Q86U86 1/20 0.33
ROCK2 O75116 1/20 0.33
ROCK1 Q13464 1/20 0.33
HTR1A P08908 1/20 0.33
HTR7 P34969 1/20 0.33

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
SCHEMBL4884161 1.00 PIK3C3 (0.42) PIK3C3GSK3BRAD52CYP1A2CYP3A4
SCHEMBL4883542 1.00 PIK3C3 (0.42) PIK3C3GSK3BRAD52CYP1A2CYP3A4
SCHEMBL4887636 0.84 HTR7 (0.48) GSK3BRAD52HTR2CHTR2BHTR2A
SCHEMBL4889730 0.84 HTR7 (0.48) GSK3BRAD52HTR2CHTR2BHTR2A
SCHEMBL4887643 0.84 HTR7 (0.48) GSK3BRAD52HTR2CHTR2BHTR2A
SCHEMBL4886472 0.83 HTR7 (0.44) GSK3BRAD52CYP1A2CYP3A4HTR2C
SCHEMBL4886468 0.83 HTR7 (0.44) GSK3BRAD52CYP1A2CYP3A4HTR2C
SCHEMBL4890068 0.83 HTR7 (0.44) GSK3BRAD52CYP1A2CYP3A4HTR2C
SCHEMBL4885654 0.81 HTR7 (0.46) GSK3BRAD52CYP1A2CYP3A4HTR2C
SCHEMBL4881190 0.81 HTR7 (0.46) GSK3BRAD52CYP1A2CYP3A4HTR2C

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 2 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
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

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 PIK3C3 4213/4885GSK3B 2887/4885RAD52 2423/4885

“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.