SCHEMBL20179484

SCHEMBL20179484

OC[C@@H]1C[C@H]1CCc1cc(F)ccc1OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.43
DRD2 P14416 1/20 0.43
KDM1A O60341 5/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
LMNA P02545 1/20 0.41
FFAR4 Q5NUL3 3/20 0.40
FFAR1 O14842 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
ABCB1 P08183 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.40
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 2/20 0.39
TRPV6 Q9H1D0 1/20 0.39

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
SCHEMBL20179436 1.00 HTR1A (0.43) HTR1ADRD2KDM1AL3MBTL1LMNA
SCHEMBL20179475 1.00 HTR1A (0.43) HTR1ADRD2KDM1AL3MBTL1LMNA
SCHEMBL19988037 0.81 HTR1A (0.43) HTR1ADRD2L3MBTL1LMNAFFAR4
SCHEMBL19988040 0.81 HTR1A (0.43) HTR1ADRD2L3MBTL1LMNAFFAR4
SCHEMBL19988032 0.81 HTR1A (0.43) HTR1ADRD2L3MBTL1LMNAFFAR4
SCHEMBL19988048 0.81 HTR1A (0.43) HTR1ADRD2L3MBTL1LMNAFFAR4
SCHEMBL19988033 0.81 HTR1A (0.43) HTR1ADRD2L3MBTL1LMNAFFAR4
SCHEMBL18894534 0.81 HTR1A (0.53) HTR1ADRD2L3MBTL1LMNAFFAR4
SCHEMBL23940700 0.80 SLC6A2 (0.45) HTR1ADRD2KDM1AL3MBTL1LMNA
SCHEMBL20006884 0.80 SLC6A2 (0.45) HTR1ADRD2KDM1AL3MBTL1LMNA

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-20180141926-A1 NEBIVOLOL SYNTHESIS METHOD AND INTERMEDIATE COMPOUND THEREOF ZHEJIANG AUSUN PHARMACEUTICAL CO., LTD. (CN) 2018-05-24 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-20180141926-A1 NEBIVOLOL SYNTHESIS METHOD AND INTERMEDIATE COMPOUND THEREOF CYP4A11, CYP11B2, ADRB1 HTR1A 1318/4885DRD2 205/4885KDM1A 4563/4885

“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.