SCHEMBL4131947

SCHEMBL4131947

COc1ccc(Cl)cc1-c1ccccc1CO[C@H]1CCNC1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 8/20 0.48
HTR2C P28335 8/20 0.48
SLC6A4 P31645 5/20 0.44
SLC6A2 P23975 4/20 0.44
SLC6A3 Q01959 4/20 0.44
CYP2D6 P10635 1/20 0.44
HTR2A P28223 2/20 0.44
HTR1A P08908 1/20 0.44
HTR1D P28221 1/20 0.44
HTR1B P28222 1/20 0.44
HTR1E P28566 1/20 0.44
HTR7 P34969 1/20 0.44
HTR3A P46098 1/20 0.44
HTR5A P47898 1/20 0.44
HTR6 P50406 1/20 0.44
KCNH2 Q12809 2/20 0.44

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
SCHEMBL4131957 1.00 HTR2B (0.48) HTR2BHTR2CSLC6A4SLC6A2SLC6A3
SCHEMBL4127777 0.87 HTR7 (0.47) HTR2BHTR2CSLC6A4SLC6A2SLC6A3
SCHEMBL4127782 0.87 HTR7 (0.47) HTR2BHTR2CSLC6A4SLC6A2SLC6A3
SCHEMBL4131809 0.87 SLC6A4 (0.48) HTR2BHTR2CSLC6A4SLC6A2SLC6A3
SCHEMBL4131815 0.87 SLC6A4 (0.48) HTR2BHTR2CSLC6A4SLC6A2SLC6A3
SCHEMBL4124983 0.85 SLC6A4 (0.46) HTR2BHTR2CSLC6A4SLC6A2SLC6A3
SCHEMBL4124980 0.85 SLC6A4 (0.46) HTR2BHTR2CSLC6A4SLC6A2SLC6A3
SCHEMBL4133227 0.82 SLC6A2 (0.45) SLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL4133233 0.82 SLC6A2 (0.45) SLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL4127310 0.81 SLC6A2 (0.47) HTR2BHTR2CSLC6A4SLC6A2SLC6A3

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-20090215857-A1 Therapeutic Pyrrolidines PFIZER PRODUCTS INC. (US) 2009-08-27 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-20090215857-A1 Therapeutic Pyrrolidines OPRL1, HTR5A, OPRD1 HTR2B 92/4885HTR2C 104/4885SLC6A4 18/4885

“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.