SCHEMBL20006794

SCHEMBL20006794

Cc1ccc(F)cc1CCC1OC1CO

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 14/20 0.42
SLC6A3 Q01959 14/20 0.42
SLC6A2 P23975 13/20 0.42
SLC5A2 P31639 5/20 0.40
ABCB11 O95342 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
SLC5A1 P13866 1/20 0.40
CYP3A4 P08684 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 1/20 0.37
CYP2D6 P10635 1/20 0.35

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
SCHEMBL24317253 0.86 SLC6A4 (0.43) SLC6A4SLC6A3SLC6A2SLC5A2ABCB11
SCHEMBL23940689 0.82 SLC6A2 (0.34) SLC6A4SLC6A3SLC6A2SLC5A2SLC5A1
SCHEMBL23940705 0.81 SLC6A2 (0.34) SLC6A4SLC6A3SLC6A2SLC5A2CYP3A4
SCHEMBL20007142 0.77 SLC6A2 (0.42) SLC6A4SLC6A3SLC6A2CYP3A4CYP2C9
SCHEMBL18255229 0.76 SLC6A2 (0.41) SLC6A4SLC6A3SLC6A2
SCHEMBL18255228 0.76 SLC6A2 (0.41) SLC6A4SLC6A3SLC6A2
SCHEMBL18255230 0.76 SLC6A2 (0.41) SLC6A4SLC6A3SLC6A2
SCHEMBL18255254 0.76 SLC6A2 (0.41) SLC6A4SLC6A3SLC6A2
SCHEMBL18255226 0.76 SLC6A2 (0.41) SLC6A4SLC6A3SLC6A2
SCHEMBL18959855 0.75 PTGS1 (0.40) SLC6A4SLC6A3SLC6A2

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-20180141926-A1 NEBIVOLOL SYNTHESIS METHOD AND INTERMEDIATE COMPOUND THEREOF ZHEJIANG AUSUN PHARMACEUTICAL CO., LTD. (CN) 2018-05-24 US disclosed
EP-3299364-A1 NEBIVOLOL SYNTHESIS METHOD AND INTERMEDIATE COMPOUND THEREOF Zhejiang Ausun Pharmaceutical Co., Ltd. (CN) 2018-03-28 EP 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-20180141926-A1 NEBIVOLOL SYNTHESIS METHOD AND INTERMEDIATE COMPOUND THEREOF CYP4A11, CYP11B2, ADRB1 SLC6A4 440/4885SLC6A3 775/4885SLC6A2 291/4885

“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.