SCHEMBL5177623

SCHEMBL5177623

CC(C)(C)c1ccc(CNCCc2ccc(F)cc2)c(Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.55
CYP2D6 P10635 2/20 0.55
CYP2C19 P33261 2/20 0.55
CYP2C9 P11712 1/20 0.55
CYP3A4 P08684 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
KMT2A Q03164 2/20 0.45
TRPV6 Q9H1D0 1/20 0.45
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
LMNA P02545 1/20 0.43
TAAR1 Q96RJ0 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CA12 O43570 1/20 0.41
CA4 P22748 1/20 0.41
LTA4H P09960 1/20 0.41
EPHX2 P34913 1/20 0.41
ESRRB O95718 1/20 0.40
ESRRG P62508 1/20 0.40

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
SCHEMBL5176309 0.86 L3MBTL1 (0.49) CYP1A2CYP2D6CYP2C19CYP2C9CYP3A4
SCHEMBL5175544 0.85 NR1I3 (0.51) CYP1A2CYP2D6CYP2C19CYP2C9CA1
SCHEMBL5188207 0.83 KMT2A (0.60) L3MBTL1KMT2ATRPV6CA1CA2
SCHEMBL3273909 0.81 L3MBTL1 (0.68) CYP1A2CYP2D6CYP2C19CYP2C9CYP3A4
Hydrochloric Acid SCHEMBL4026088 0.80 L3MBTL1 (0.66) CYP1A2CYP2D6CYP2C19CYP2C9CYP3A4
SCHEMBL5175432 0.80 KDM4E (0.49) CYP1A2CYP2D6CYP2C19CYP3A4KMT2A
SCHEMBL5188541 0.77 P2RX7 (0.53) KMT2ALMNAALDH1A1EPHX2
SCHEMBL5178683 0.76 CNR1 (0.48) KMT2AKDM4EALDH1A1CNR1
SCHEMBL5176979 0.74 ESRRG (0.72) ESRRBESRRGMCHR1CNR1
SCHEMBL5177815 0.74 TAAR1 (0.56) CYP1A2CYP2C19KMT2ACA1CA2

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 CYP1A2 156/4885CYP2D6 469/4885CYP2C19 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.