SCHEMBL23027210

SCHEMBL23027210

O=C(OCc1ccccc1)[C@H](Cc1c[nH]c2ccccc12)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 9/20 0.62
NMBR P28336 2/20 0.53
LNPEP Q9UIQ6 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
MAPT P10636 3/20 0.50
KDM4E B2RXH2 2/20 0.50
GAA P10253 1/20 0.50
HTT P42858 1/20 0.50
IL1RN P18510 1/20 0.50
ERAP2 Q6P179 1/20 0.50
ERAP1 Q9NZ08 1/20 0.50
APAF1 O14727 1/20 0.50
POLB P06746 1/20 0.50
RECQL P46063 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MEN1 O00255 1/20 0.50
LMNA P02545 1/20 0.50
MPO P05164 1/20 0.50
TSHR P16473 1/20 0.50
BLM P54132 1/20 0.50

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
SCHEMBL25060309 1.00 TACR1 (0.62) TACR1NMBRLNPEPSMN1; SMN2MAPT
SCHEMBL31619542 0.90 TACR1 (0.58) TACR1SMN1; SMN2MAPTKDM4EGAA
SCHEMBL38660959 0.88 TACR1 (0.56) TACR1SMN1; SMN2MAPTKDM4EGAA
SCHEMBL22654031 0.87 SMN1; SMN2 (0.60) TACR1SMN1; SMN2MAPTKDM4EGAA
SCHEMBL22654030 0.87 SMN1; SMN2 (0.60) TACR1SMN1; SMN2MAPTKDM4EGAA
SCHEMBL12818038 0.87 SMN1; SMN2 (0.60) TACR1SMN1; SMN2MAPTKDM4EGAA
SCHEMBL27871525 0.82 TACR1 (0.60) TACR1NMBRLNPEPSMN1; SMN2MAPT
SCHEMBL28503689 0.81 TACR1 (0.56) TACR1NMBRLNPEPSMN1; SMN2MAPT
SCHEMBL28503688 0.81 TACR1 (0.56) TACR1NMBRLNPEPSMN1; SMN2MAPT
SCHEMBL28514266 0.81 TACR1 (0.56) TACR1NMBRLNPEPSMN1; SMN2MAPT

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-20210053932-A1 MANGANESE-CATALYSED HYDROGENATION OF ESTERS UNIVERSITY COURT OF THE UNIVERSITY OF ST ANDREWS (GB) 2021-02-25 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-20210053932-A1 MANGANESE-CATALYSED HYDROGENATION OF ESTERS ADH5, HDHD5, ADH1A TACR1 4624/4885NMBR 2324/4885LNPEP 3590/4885

“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.