SCHEMBL2533780

SCHEMBL2533780

CC(C)(C(=O)NC[C@H]1CC[C@@H]1CN1CCC(C(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.48
HSD11B1 P28845 2/20 0.48
POLB P06746 1/20 0.44
HTR2A P28223 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
HTR2C P28335 1/20 0.43
HTR7 P34969 1/20 0.43
HTR6 P50406 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL227583 1.00 MGLL (0.48) MGLLHSD11B1POLBHTR2ASMN1; SMN2
SCHEMBL227582 1.00 MGLL (0.48) MGLLHSD11B1POLBHTR2ASMN1; SMN2
SCHEMBL2533784 1.00 MGLL (0.48) MGLLHSD11B1POLBHTR2ASMN1; SMN2
SCHEMBL228270 0.94 MGLL (0.47) MGLLHSD11B1POLBHTR2ASMN1; SMN2
SCHEMBL228271 0.94 MGLL (0.47) MGLLHSD11B1POLBHTR2ASMN1; SMN2
SCHEMBL229208 0.82 SMN1; SMN2 (0.56) MGLLHSD11B1POLBHTR2ASMN1; SMN2
SCHEMBL229207 0.82 SMN1; SMN2 (0.56) MGLLHSD11B1POLBHTR2ASMN1; SMN2
SCHEMBL228722 0.81 MGLL (0.54) MGLLHSD11B1POLBHTR2ASMN1; SMN2
SCHEMBL228723 0.81 MGLL (0.54) MGLLHSD11B1POLBHTR2ASMN1; SMN2
SCHEMBL5047556 0.80 HTR2C (0.48) HTR2ASMN1; SMN2LMNAHTTHTR2C

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-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-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 claimed

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-20070197531-A1 Benzoyl-piperidine derivatives as dual modulators of the 5-HT2A and D3 receptors HTR2A, HTR3A, HTR2C MGLL 4338/4885HSD11B1 4592/4885POLB 4078/4885

“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.