SCHEMBL228708

SCHEMBL228708

CC1CCC(C(=O)NC2CCC(CCN3CCC(C(=O)c4ccc(F)cc4)CC3)CC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 7/20 0.52
HTR2C P28335 2/20 0.52
HTR7 P34969 2/20 0.52
HTR6 P50406 2/20 0.52
ACKR3 P25106 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
LMNA P02545 1/20 0.49
HTT P42858 1/20 0.49
DRD3 P35462 6/20 0.49
DRD2 P14416 5/20 0.48
ALDH1A1 P00352 1/20 0.48

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
SCHEMBL228709 1.00 HTR2A (0.52) HTR2AHTR2CHTR7HTR6ACKR3
SCHEMBL228707 1.00 HTR2A (0.52) HTR2AHTR2CHTR7HTR6ACKR3
SCHEMBL227208 0.95 HTR2A (0.57) HTR2AHTR2CHTR7HTR6ACKR3
SCHEMBL227209 0.95 HTR2A (0.57) HTR2AHTR2CHTR7HTR6ACKR3
SCHEMBL227207 0.91 HTR2A (0.53) HTR2AHTR2CHTR7HTR6ACKR3
SCHEMBL227205 0.91 HTR2A (0.53) HTR2AHTR2CHTR7HTR6ACKR3
SCHEMBL227206 0.91 HTR2A (0.53) HTR2AHTR2CHTR7HTR6ACKR3
SCHEMBL224685 0.91 DRD2 (0.56) HTR2AHTR2CHTR7HTR6ACKR3
SCHEMBL224684 0.91 DRD2 (0.56) HTR2AHTR2CHTR7HTR6ACKR3
SCHEMBL227341 0.90 DRD2 (0.60) HTR2AHTR2CHTR7HTR6ACKR3

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-8415350-B2 Benzoyl-piperidine derivatives as dual modulators of the 5-HT2A and D3 receptors HOFFMANN-LA ROCHE INC. (US) 2013-04-09 US disclosed
US-20120004208-A1 BENZOYL-PIPERIDINE DERIVATIVES AS DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS GOBBI LUCA (CH) 2012-01-05 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-20120004208-A1 BENZOYL-PIPERIDINE DERIVATIVES AS DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS HTR2A, HTR3A, HTR2C HTR2A 1/4885HTR2C 3/4885HTR7 22/4885

“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.