SCHEMBL21146854

SCHEMBL21146854

C[C@H](c1ccc(COCc2cccc(F)c2)cc1)[C@@H](C)c1ccc(N(CCF)Cc2ccccc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.39
MAOB P27338 5/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CETP P11597 2/20 0.36
HCAR2 Q8TDS4 1/20 0.35
KDM4E B2RXH2 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
BCHE P06276 1/20 0.35
MAOA P21397 1/20 0.35
IDO1 P14902 2/20 0.35
AGXT P21549 2/20 0.35
CYP2C19 P33261 1/20 0.35
NR3C1 P04150 2/20 0.34
AR P10275 1/20 0.34

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
SCHEMBL20004339 0.75 CNR2 (0.50) MEN1KMT2AKDM4ECYP2C19
SCHEMBL20004351 0.73 IDO1 (0.50) MAOBMAOAIDO1AGXT
SCHEMBL22537516 0.68 IDO1 (0.50) MAOBMAOAIDO1AGXT
SCHEMBL22537839 0.68 CYP2C19 (0.73) CYP2C19NR3C1
SCHEMBL992379 0.67 MAOB (0.70) MAOBIDO1AGXT
SCHEMBL28344411 0.67 IDO1 (0.69) MAOBHCAR2MAOAIDO1AGXT
SCHEMBL22537625 0.66 IDO1 (0.55) MAOBIDO1AGXTAR
SCHEMBL13361125 0.66 MAN2A1 (0.48) MAOBMEN1KMT2AIDO1AGXT
SCHEMBL9809629 0.64 CRHBP (0.56) MEN1KMT2ACETPHCAR2CYP2C19
SCHEMBL24215162 0.63 MAOB (0.57) MAOBIDO1AGXTCYP2C19

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-10906900-B2 Compounds for using in imaging and particularly for the diagnosis of neurodegenerative diseases CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2021-02-02 US disclosed
US-20190211011-A1 COMPOUNDS FOR USING IN IMAGING AND PARTICULARLY FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISEASES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2019-07-11 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 (2 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-10906900-B2 Compounds for using in imaging and particularly for the diagnosis of neurodegenerative diseases PSEN2, CLN6, MAPT ALOX5 1773/4885MAOB 63/4885MEN1 672/4885
US-20190211011-A1 COMPOUNDS FOR USING IN IMAGING AND PARTICULARLY FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISEASES PSEN2, SNCA, MAPT ALOX5 2351/4885MAOB 64/4885MEN1 927/4885

“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.