SCHEMBL229758

SCHEMBL229758

NC(=O)C1(C2(C(=O)O)CC2)CCC(CCN2CCC(C(=O)c3ccc(F)c(F)c3)CC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.43
HTR2C P28335 2/20 0.41
HTR2A P28223 2/20 0.41
HTR7 P34969 1/20 0.41
HTR6 P50406 1/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39

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
SCHEMBL225650 0.89 HSD11B1 (0.40) HSD11B1HTR2CHTR2AHTR7HTR6
SCHEMBL229648 0.83 HTR2A (0.42) HTR2CHTR2AHTR7HTR6ALDH1A1
SCHEMBL2533334 0.82 HSD11B1 (0.48) HSD11B1HTR2CHTR2AHTR7HTR6
SCHEMBL2533336 0.81 HSD11B1 (0.49) HSD11B1HTR2CHTR2AHTR7HTR6
SCHEMBL230480 0.81 HSD11B1 (0.46) HSD11B1HTR2CHTR2AHTR7HTR6
SCHEMBL228556 0.80 HTR2A (0.41) HTR2CHTR2AHTR7HTR6ALDH1A1
SCHEMBL230479 0.78 HSD11B1 (0.42) HSD11B1HTR2CHTR2AHTR7HTR6
SCHEMBL230199 0.75 HSD11B1 (0.41) HSD11B1HTR2CHTR2AHTR7HTR6
SCHEMBL229757 0.75 ACKR3 (0.52) HTR2A
SCHEMBL230200 0.74 DRD2 (0.56) HTR2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8039490-B2 Benzoyl-piperidine derivatives as dual modulators of the 5-HT2A and D3 receptors HOFFMANN-LA ROCHE INC. (US) 2011-10-18 US claimed
US-20120004208-A1 BENZOYL-PIPERIDINE DERIVATIVES AS DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS GOBBI LUCA (CH) 2012-01-05 US disclosed
US-8039490-B2 Benzoyl-piperidine derivatives as dual modulators of the 5-HT2A and D3 receptors HOFFMANN-LA ROCHE INC. (US) 2011-10-18 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 HSD11B1 4592/4885HTR2C 3/4885HTR2A 1/4885

“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.