SCHEMBL5634895

SCHEMBL5634895

COc1c(CCNCc2ccc(C(C)(C)C)cc2)cccc1C1CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
BCHE P06276 2/20 0.38
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 2/20 0.37
LMNA P02545 1/20 0.37
NPY1R P25929 1/20 0.37
HTT P42858 1/20 0.37
NPY2R P49146 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CCR3 P51677 1/20 0.37
HTR2A P28223 4/20 0.36
HTR2C P28335 1/20 0.36
SMPD1 P17405 1/20 0.36
MITF O75030 1/20 0.36
GAA P10253 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL3242076 0.77 CA1 (0.50) CA1CA2KMT2AKDM4ECCR3
SCHEMBL3230624 0.72 CA1 (0.48) CA1CA2BCHEKMT2AKDM4E
SCHEMBL3237476 0.71 CA1 (0.47) CA1CA2KDM4ECCR3
SCHEMBL3241151 0.71 CA1 (0.47) CA1CA2KDM4ECCR3CYP1A2
SCHEMBL5177225 0.71 HTR2A (0.44) CA1CA2HTR2A
SCHEMBL4159646 0.70 HTR2A (0.56) CA1CA2KMT2ALMNAHTR2A
SCHEMBL3571580 0.70 CA1 (0.50) CA1CA2KMT2AKDM4ELMNA
SCHEMBL3945456 0.70 KMT2A (0.61) CA1CA2KMT2AKDM4EMITF
SCHEMBL5177357 0.69 BCHE (0.65) CA1CA2BCHEKMT2AKDM4E
SCHEMBL20902780 0.69 CA1 (0.71) CA1CA2KMT2AGAA

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 2 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
US-20060030613-A1 Indole, indazole and indoline derivatives as CETP inhibitors F. HOFFMANN-LA ROCHE AG (CH) 2006-02-09 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-20060030613-A1 Indole, indazole and indoline derivatives as CETP inhibitors CETP, NAT1, MTTP CA1 4376/4885CA2 2610/4885BCHE 978/4885

“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.