SCHEMBL5624929

SCHEMBL5624929

CCN(CC1CCCO1)c1nc2c(C)cccc2cc1CNCc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38
ALDH1A1 P00352 4/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
PKM P14618 1/20 0.36
KDM4E B2RXH2 5/20 0.35
ATM Q13315 3/20 0.35
MAPK1 P28482 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
HPGD P15428 1/20 0.35
TACR1 P25103 1/20 0.34
TSHR P16473 1/20 0.34
LMNA P02545 3/20 0.34
HSD17B10 Q99714 2/20 0.34
NPC1 O15118 1/20 0.34
GAA P10253 1/20 0.34
POLB P06746 1/20 0.34
RXFP1 Q9HBX9 1/20 0.33

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
SCHEMBL5046163 0.88 DRD4 (0.40) L3MBTL1DRD4DRD3TACR1RXFP1
SCHEMBL5046472 0.83 DRD4 (0.43) L3MBTL1DRD4DRD3TACR1RXFP1
SCHEMBL13965585 0.81 DRD4 (0.40) L3MBTL1DRD4DRD3TACR1PIK3CD
SCHEMBL5049496 0.81 CETP (0.38)
SCHEMBL5048189 0.81 CETP (0.38)
SCHEMBL5049499 0.81 CETP (0.38)
SCHEMBL18265664 0.80 ALDH1A1 (0.36) L3MBTL1ALDH1A1KMT2AMEN1PKM
SCHEMBL14602916 0.80 KDM4E (0.34) PKMKDM4ETACR1
SCHEMBL15702946 0.77 CETP (0.35) ALDH1A1LMNA
SCHEMBL15702947 0.77 CETP (0.35) ALDH1A1LMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9765030-B2 Benzylamine derivatives and their utility as cholesterol ester-transfer protein inhibitors DR. REDDY'S LABORATORIES LTD. (IN) 2017-09-19 US disclosed
US-20140134235-A1 NOVEL BENZYLAMINE DERIVATIVES AND THEIR UTILITY AS CHOLESTEROL ESTER-TRANSFER PROTEIN INHIBITORS DR. REDDY'S LABORATORIES LTD. (IN) 2014-05-15 US disclosed
US-8604055-B2 Substituted benzylamino quinolines as cholesterol ester-transfer protein inhibitors DR. REDDY'S LABORATORIES LTD. (IN) 2013-12-10 US disclosed
US-20070015758-A1 Novel benzylamine derivatives and their utility as cholesterol ester-transfer protein inhibitors DR. REDDY'S LABORATORIES LTD. (IN) 2007-01-18 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-20140134235-A1 NOVEL BENZYLAMINE DERIVATIVES AND THEIR UTILITY AS CHOLESTEROL ESTER-TRANSFER PROTEIN INHIBITORS CETP, NPC1, DBI L3MBTL1 363/4885DRD4 3812/4885DRD3 3802/4885
US-20070015758-A1 Novel benzylamine derivatives and their utility as cholesterol ester-transfer protein inhibitors CETP, NPC1, DBI L3MBTL1 363/4885DRD4 3812/4885DRD3 3802/4885

“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.