SCHEMBL5178683

SCHEMBL5178683

CC(C)(C)c1ccc(CNCCc2cccc(OC(F)(F)F)c2)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.48
CHRM2 P08172 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
USP28 Q96RU2 1/20 0.43
USP25 Q9UHP3 1/20 0.43
TRPV1 Q8NER1 3/20 0.43
VNN1 O95497 1/20 0.40
CETP P11597 2/20 0.39
BCHE P06276 2/20 0.39
CARM1 Q86X55 2/20 0.39
PRMT6 Q96LA8 2/20 0.39
ALDH1A1 P00352 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPK14 Q16539 1/20 0.39
DAO P14920 1/20 0.38
P2RX7 Q99572 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
SCHEMBL3272263 0.85 KDM4E (0.50) CNR1CHRM2CHRM1CHRM3KDM4E
SCHEMBL5175432 0.84 KDM4E (0.49) CNR1KDM4EMEN1KMT2ATDP1
SCHEMBL5178676 0.81 LMNA (0.57) CNR1VNN1MAPK14
SCHEMBL5633995 0.79 TRPV1 (0.57) CNR1TRPV1VNN1MAPK14
SCHEMBL5175544 0.77 NR1I3 (0.51)
SCHEMBL5177623 0.76 CYP1A2 (0.55) CNR1KDM4EKMT2AALDH1A1
SCHEMBL3581270 0.75 BCHE (0.52) CNR1CHRM2CHRM1CHRM3KDM4E
SCHEMBL3584103 0.75 KDM4E (0.47) CNR1CHRM2CHRM1CHRM3KDM4E
SCHEMBL5175871 0.75 BCHE (0.49) CNR1CHRM2CHRM1CHRM3KDM4E
SCHEMBL9957662 0.74 CNR1 (0.49) CNR1CHRM2CHRM1CHRM3KDM4E

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-7259183-B2 Indole, indazole and indoline derivatives as CETP inhibitors HOFFMANN-LA ROCHE INC. (US) 2007-08-21 US 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 CNR1 137/4885CHRM2 1054/4885CHRM1 288/4885

“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.