SCHEMBL5176587

SCHEMBL5176587

N#CC1(c2ccc(CNCCc3cccc(C(F)(F)F)c3)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.48
KDM4E B2RXH2 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
ROCK1 Q13464 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
DPP7 Q9UHL4 1/20 0.44
TAAR1 Q96RJ0 1/20 0.41
SCN8A Q9UQD0 1/20 0.41
CNR1 P21554 1/20 0.39
MIF P14174 1/20 0.39
ALKBH5 Q6P6C2 1/20 0.39
FTO Q9C0B1 1/20 0.39
OPRM1 P35372 1/20 0.38
OPRL1 P41146 1/20 0.38
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
CARM1 Q86X55 1/20 0.37
PRMT6 Q96LA8 1/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL5177176 0.82 KDM4E (0.53) PARP1KDM4ETDP1ROCK1MEN1
SCHEMBL5175808 0.81 KDM4E (0.51) PARP1KDM4ETDP1ROCK1MEN1
SCHEMBL5177300 0.81 KDM4E (0.56) PARP1KDM4ETDP1ROCK1MEN1
SCHEMBL5178485 0.79 NPC1 (0.53) KDM4ETDP1MEN1KMT2AHDAC1
SCHEMBL5177926 0.79 KDM4E (0.54) PARP1KDM4ETDP1ROCK1MEN1
Hydrochloric Acid SCHEMBL11847984 0.77 MEN1 (0.62) PARP1KDM4ETDP1ROCK1MEN1
SCHEMBL9957537 0.76 KDM4E (0.59) PARP1KDM4ETDP1ROCK1MEN1
SCHEMBL9958168 0.76 KDM4E (0.59) PARP1KDM4ETDP1ROCK1MEN1
SCHEMBL3574201 0.75 KDM4E (0.55) PARP1KDM4ETDP1ROCK1MEN1
SCHEMBL3571478 0.75 KDM4E (0.55) PARP1KDM4ETDP1ROCK1MEN1

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 PARP1 118/4885KDM4E 2662/4885TDP1 185/4885

“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.