SCHEMBL4885654

SCHEMBL4885654

C[C@H]1CNCCN1c1cc(F)cc(-c2cccc(F)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 6/20 0.46
HTR1A P08908 5/20 0.46
HTR2B P41595 6/20 0.43
HTR2C P28335 6/20 0.43
HTR2A P28223 4/20 0.43
HTR6 P50406 4/20 0.43
HTR1D P28221 2/20 0.43
HTR1B P28222 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
HTR3A P46098 1/20 0.40
DRD2 P14416 1/20 0.40
GSK3B P49841 2/20 0.38
RAD52 P43351 1/20 0.38
GRM5 P41594 1/20 0.37
NISCH Q9Y2I1 1/20 0.37

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
SCHEMBL4881202 1.00 HTR7 (0.46) HTR7HTR1AHTR2BHTR2CHTR2A
SCHEMBL4881190 1.00 HTR7 (0.46) HTR7HTR1AHTR2BHTR2CHTR2A
SCHEMBL4886472 0.91 HTR7 (0.44) HTR7HTR1AHTR2BHTR2CHTR6
SCHEMBL4886468 0.91 HTR7 (0.44) HTR7HTR1AHTR2BHTR2CHTR6
SCHEMBL4890068 0.91 HTR7 (0.44) HTR7HTR1AHTR2BHTR2CHTR6
SCHEMBL4880141 0.87 HTR2C (0.46) HTR7HTR1AHTR2BHTR2CHTR2A
SCHEMBL4878025 0.87 HTR2C (0.46) HTR7HTR1AHTR2BHTR2CHTR2A
SCHEMBL4878045 0.87 HTR2C (0.46) HTR7HTR1AHTR2BHTR2CHTR2A
SCHEMBL4889730 0.87 HTR7 (0.48) HTR7HTR1AHTR2BHTR2CHTR2A
SCHEMBL4887643 0.87 HTR7 (0.48) HTR7HTR1AHTR2BHTR2CHTR2A

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 1 patent. 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

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 9/4885HTR2B 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.