SCHEMBL4131907

SCHEMBL4131907

Cc1cccc(-c2ccccc2CO[C@H]2CCNC2)c1C

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 10/20 0.46
SLC6A2 P23975 9/20 0.46
SLC6A3 Q01959 7/20 0.46
KCNH2 Q12809 4/20 0.46
CYP2D6 P10635 2/20 0.40
HTR1A P08908 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
HTR2C P28335 3/20 0.38
HTR2B P41595 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38

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
SCHEMBL4131911 1.00 SLC6A4 (0.46) SLC6A4SLC6A2SLC6A3KCNH2CYP2D6
SCHEMBL4137362 0.91 SLC6A2 (0.49) SLC6A4SLC6A2SLC6A3KCNH2CYP2D6
SCHEMBL4137355 0.91 SLC6A2 (0.49) SLC6A4SLC6A2SLC6A3KCNH2CYP2D6
SCHEMBL4145015 0.86 SLC6A2 (0.50) SLC6A4SLC6A2SLC6A3KCNH2HTR1A
SCHEMBL4145019 0.86 SLC6A2 (0.50) SLC6A4SLC6A2SLC6A3KCNH2HTR1A
Hydrochloric Acid SCHEMBL2983376 0.84 SLC6A4 (0.52) SLC6A4SLC6A2SLC6A3KCNH2CYP2D6
Hydrochloric Acid SCHEMBL2969009 0.84 SLC6A4 (0.52) SLC6A4SLC6A2SLC6A3KCNH2CYP2D6
SCHEMBL4125233 0.82 SLC6A2 (0.47) SLC6A4SLC6A2SLC6A3KCNH2CHRM2
SCHEMBL4125229 0.82 SLC6A2 (0.47) SLC6A4SLC6A2SLC6A3KCNH2CHRM2
SCHEMBL4148272 0.81 SLC6A2 (0.52) SLC6A4SLC6A2SLC6A3KCNH2HTR1A

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 SLC6A4 18/4885SLC6A2 28/4885SLC6A3 19/4885

“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.