SCHEMBL5623876

SCHEMBL5623876

Cc1nn(C)c2nc(NC(C3CC3)C3CC3)c(CNCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc12

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BCDIN3D Q7Z5W3 4/20 0.33
TACR1 P25103 2/20 0.33
MDM2 Q00987 1/20 0.33
GPBAR1 Q8TDU6 2/20 0.32
CDK1 P06493 2/20 0.32
CCR2 P41597 5/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL5625128 0.82 TACR1 (0.38) TACR1MDM2GPBAR1CDK1CCR2
SCHEMBL5047836 0.82 TACR1 (0.34) BCDIN3DTACR1MDM2GPBAR1CDK1
SCHEMBL5623530 0.80 CETP (0.38)
SCHEMBL5132427 0.79 CETP (0.35)
SCHEMBL5624154 0.79
SCHEMBL14602910 0.79 TACR1 (0.39) BCDIN3DTACR1GPBAR1CDK1KDM4E
SCHEMBL5624165 0.79 BRAF (0.30)
SCHEMBL5623870 0.79 TACR1 (0.34) BCDIN3DTACR1GPBAR1CCR2KDM4E
SCHEMBL14833614 0.78 TACR1 (0.33) BCDIN3DTACR1GPBAR1CDK1CCR2
SCHEMBL5624607 0.76 BCDIN3D (0.33) BCDIN3DTACR1

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 5 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
EP-1981342-B1 SELECTIVE BENZYLAMINE DERIVATIVES AND THEIR UTILITY AS CHOLESTEROL ESTER-TRANSFER PROTEIN INHIBITORS REDDYS LAB LTD DR (IN) 2016-11-30 EP 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 BCDIN3D 453/4885TACR1 4756/4885MDM2 4455/4885
US-20070015758-A1 Novel benzylamine derivatives and their utility as cholesterol ester-transfer protein inhibitors CETP, NPC1, DBI BCDIN3D 453/4885TACR1 4756/4885MDM2 4455/4885

“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.