SCHEMBL229876

SCHEMBL229876

CC(=O)N1CCC(C(=O)c2ccc(F)cc2Cl)CC1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 8/20 0.65
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
ALDH1A1 P00352 1/20 0.53
OPRL1 P41146 1/20 0.51
HPGD P15428 1/20 0.48
NPC1 O15118 1/20 0.47
P2RX7 Q99572 1/20 0.47
MGLL Q99685 1/20 0.47
CPS1 P31327 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46

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
SCHEMBL1838212 0.86 MEN1 (0.61) HSD11B1MEN1KMT2AALDH1A1CPS1
SCHEMBL224986 0.86 HSD11B1 (0.48) HSD11B1MEN1KMT2AALDH1A1P2RX7
SCHEMBL10966560 0.85 HSD11B1 (0.50) HSD11B1MEN1KMT2ACPS1HDAC3
SCHEMBL9865846 0.83 ALDH1A1 (0.55) HSD11B1MEN1KMT2AALDH1A1
SCHEMBL19409538 0.83 HSD11B1 (0.58) HSD11B1MEN1KMT2AALDH1A1
SCHEMBL10637954 0.82 QDPR (0.49) HSD11B1MEN1KMT2ACPS1HDAC3
SCHEMBL10395236 0.81 CPS1 (0.55) HSD11B1MEN1KMT2AALDH1A1OPRL1
SCHEMBL27737579 0.81 HSD11B1 (0.55) HSD11B1MEN1KMT2AALDH1A1HPGD
SCHEMBL27737581 0.79 HSD11B1 (0.53) HSD11B1MEN1KMT2AALDH1A1HPGD
SCHEMBL226059 0.79 HSD11B1 (0.54) HSD11B1MEN1KMT2AALDH1A1HPGD

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-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
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
US-20070197531-A1 Benzoyl-piperidine derivatives as dual modulators of the 5-HT2A and D3 receptors F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2007-08-23 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 (2 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 4592/4885MEN1 3878/4885KMT2A 856/4885
US-20070197531-A1 Benzoyl-piperidine derivatives as dual modulators of the 5-HT2A and D3 receptors HTR2A, HTR3A, HTR2C HSD11B1 4592/4885MEN1 3878/4885KMT2A 856/4885

“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.