SCHEMBL14602873

SCHEMBL14602873

CC(C)c1[nH]c2ccccc2c1C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 6/20 0.43
▸ TBXAS1 P24557 1/20 0.42
▸ ALDH1A1 P00352 6/20 0.41
▸ HSD17B10 Q99714 4/20 0.41
▸ GPR3 P46089 1/20 0.41
▸ HPGD P15428 5/20 0.41
▸ CCNB2 O95067 1/20 0.39
▸ CDK1 P06493 1/20 0.39
▸ CCNB1 P14635 1/20 0.39
▸ CCNB3 Q8WWL7 1/20 0.39
▸ AHR P35869 2/20 0.38
▸ CHRNB2 P17787 2/20 0.38
▸ CHRNA7 P36544 2/20 0.38
▸ CHRNA4 P43681 2/20 0.38
▸ VDR P11473 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ GLA P06280 1/20 0.36

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
SCHEMBL14641187 0.83 CHRNB2 (0.43) KIF11TBXAS1ALDH1A1HSD17B10GPR3
SCHEMBL10280325 0.76 CCNB2 (0.56) KIF11TBXAS1ALDH1A1HSD17B10GPR3
SCHEMBL30234429 0.76 CCNB2 (0.56) KIF11TBXAS1ALDH1A1HSD17B10GPR3
SCHEMBL22793180 0.76 CHUK (0.42) KIF11ALDH1A1HPGDL3MBTL1KDM4E
SCHEMBL10067381 0.75 AHR (0.57) KIF11TBXAS1ALDH1A1HSD17B10GPR3
SCHEMBL14214508 0.75 AHR (0.57) KIF11ALDH1A1HSD17B10GPR3HPGD
SCHEMBL6865431 0.75 CHRNB2 (0.53) KIF11ALDH1A1HSD17B10GPR3HPGD
SCHEMBL23890566 0.73 ALDH1A1 (0.46) KIF11TBXAS1ALDH1A1HSD17B10GPR3
SCHEMBL13104334 0.73 CCNB2 (0.49) KIF11TBXAS1ALDH1A1HSD17B10GPR3
SCHEMBL15562637 0.73 KIF11 (0.46) KIF11ALDH1A1HSD17B10GPR3HPGD

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 3 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-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 KIF11 3959/4885TBXAS1 643/4885ALDH1A1 3986/4885
US-20070015758-A1 Novel benzylamine derivatives and their utility as cholesterol ester-transfer protein inhibitors CETP, NPC1, DBI KIF11 3959/4885TBXAS1 643/4885ALDH1A1 3986/4885

“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.

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