SCHEMBL3211692

SCHEMBL3211692

CC(C)(C)c1ccc(CNC(=O)Cc2cccc(C(F)(F)F)c2)cn1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.55
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
BACE1 P56817 1/20 0.51
TRPV1 Q8NER1 2/20 0.51
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
MAPT P10636 1/20 0.49
F2 P00734 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
RORC P51449 1/20 0.47
VNN1 O95497 1/20 0.47
DGAT2 Q96PD7 1/20 0.47
HDAC1 Q13547 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
KDM4E B2RXH2 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CSNK1D P48730 1/20 0.46

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
SCHEMBL3235987 0.83 BACE1 (0.60) LMNANPC1RAB9ABACE1MEN1
SCHEMBL3202382 0.80 LMNA (0.53) LMNANPC1RAB9ABACE1TRPV1
SCHEMBL9849523 0.79 MEN1 (0.70) LMNANPC1RAB9ABACE1MEN1
SCHEMBL3196417 0.79 P2RX7 (0.49) NPC1RAB9ATRPV1MEN1KMT2A
SCHEMBL3216508 0.78 NPC1 (0.53) LMNANPC1RAB9ABACE1TRPV1
SCHEMBL5177697 0.78 BACE1 (0.57) LMNANPC1RAB9ABACE1MEN1
SCHEMBL1397439 0.78 ROCK1 (0.54) LMNAMEN1KMT2AMAPTVNN1
SCHEMBL5176613 0.78 LMNA (0.61) LMNANPC1RAB9ABACE1MEN1
SCHEMBL3216761 0.77 KMT2A (0.62) NPC1RAB9ATRPV1MEN1KMT2A
SCHEMBL5178510 0.77 BACE1 (0.56) LMNANPC1RAB9ABACE1MEN1

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-7674815-B2 Heteroaryl and benzyl amide compounds HOFFMANN-LA ROCHE INC. (US) 2010-03-09 US claimed
US-7674815-B2 Heteroaryl and benzyl amide compounds HOFFMANN-LA ROCHE INC. (US) 2010-03-09 US disclosed
EP-2007726-A2 BENZAMIDE AND HETEROARENE DERIVATIVES AS CETP INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2008-12-31 EP disclosed
WO-2007090749-A2 BENZAMIDE AND HETEROARENE DERIVATIVES AS CETP INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-08-16 WO disclosed
US-20070185113-A1 Heteroaryl and benzyl amide compounds HOFFMANN-LA ROCHE INC. 2007-08-09 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-20070185113-A1 Heteroaryl and benzyl amide compounds CYP2C19, CYP2C9, CYP3A43 LMNA 1780/4885NPC1 115/4885RAB9A 317/4885

“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.