SCHEMBL3277780

SCHEMBL3277780

CN(c1ccc(Cl)cc1)C(Cc1ccc(C(C)(C)C)cc1)C(N)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
KMT2A Q03164 1/20 0.45
EPHX1 P07099 6/20 0.44
POLB P06746 1/20 0.41
CNR1 P21554 1/20 0.41
NR1H4 Q96RI1 1/20 0.40
LMNA P02545 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HSP90AA1 P07900 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
UTS2R Q9UKP6 2/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL5188018 0.77 SLC6A2 (0.39) MEN1CYP1A2CYP2C19KMT2APOLB
SCHEMBL10256693 0.77 SLC6A2 (0.47) CYP2C19EPHX1ALDH1A1MAPTRAB9A
SCHEMBL3942501 0.76 EPHX1 (0.50) MEN1CYP1A2CYP2C19KMT2AEPHX1
SCHEMBL3569733 0.73 CNR1 (0.50) MEN1CYP1A2CYP2C19KMT2AEPHX1
SCHEMBL5188021 0.72 SLC6A4 (0.49) MEN1CYP1A2CYP2C19KMT2APOLB
SCHEMBL5534990 0.72 SLC6A2 (0.44) CYP2C19EPHX1ALDH1A1RAB9APPARG
SCHEMBL5178360 0.70 EPHX1 (0.53) EPHX1NR1H4ALDH1A1TP53TSHR
SCHEMBL5177811 0.69 ADCY6 (0.43) MEN1CYP1A2CYP2C19KMT2AEPHX1
SCHEMBL5175445 0.68 CNR1 (0.48) MEN1CYP1A2CYP2C19KMT2AEPHX1
SCHEMBL28896863 0.68 MEN1 (0.49) MEN1CYP1A2CYP2C19KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7691876-B2 Heterobicyclic amide compounds HOFFMANN-LA ROCHE INC. (US) 2010-04-06 US claimed
EP-1984364-A1 HETEROBICYCLIC AMIDE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-10-29 EP claimed
WO-2007090751-A1 HETEROBICYCLIC AMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-08-16 WO claimed
US-7691876-B2 Heterobicyclic amide compounds HOFFMANN-LA ROCHE INC. (US) 2010-04-06 US disclosed
EP-1984364-A1 HETEROBICYCLIC AMIDE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-10-29 EP disclosed
US-7259183-B2 Indole, indazole and indoline derivatives as CETP inhibitors HOFFMANN-LA ROCHE INC. (US) 2007-08-21 US disclosed
WO-2007090751-A1 HETEROBICYCLIC AMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-08-16 WO disclosed
EP-1776338-A1 INDOLE, INDAZOLE OR INDOLINE DERIVATIVES F. Hoffmann-Roche AG (CH) 2007-04-25 EP disclosed
US-20060030613-A1 Indole, indazole and indoline derivatives as CETP inhibitors F. HOFFMANN-LA ROCHE AG (CH) 2006-02-09 US disclosed
WO-2006013048-A1 INDOLE, INDAZOLE OR INDOLINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2006-02-09 WO 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-20060030613-A1 Indole, indazole and indoline derivatives as CETP inhibitors CETP, NAT1, MTTP MEN1 2604/4885CYP1A2 156/4885CYP2C19 121/4885

“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.