SCHEMBL3739484

SCHEMBL3739484

c1ccc2c(c1)CCC21CCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 19/20 0.54
TP53 P04637 2/20 0.54
CYP1A2 P05177 2/20 0.54
CYP3A4 P08684 2/20 0.54
CYP2D6 P10635 2/20 0.54
TSHR P16473 2/20 0.54
CYP2C19 P33261 2/20 0.54
ALDH1A1 P00352 1/20 0.54
CYP2C9 P11712 1/20 0.54
SLC18A3 Q16572 2/20 0.53
DRD2 P14416 1/20 0.51
NFKB1 P19838 1/20 0.51
HTR2A P28223 1/20 0.51
HTR2C P28335 1/20 0.51
MAPK1 P28482 1/20 0.51
HTR2B P41595 1/20 0.51
MTOR P42345 1/20 0.51
MEN1 O00255 1/20 0.50
BLM P54132 1/20 0.50
PMP22 Q01453 1/20 0.50

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
SCHEMBL30487943 1.00 SIGMAR1 (0.54) SIGMAR1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL30487948 1.00 SIGMAR1 (0.54) SIGMAR1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL23833670 0.95 SIGMAR1 (0.54) SIGMAR1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL30049093 0.95 SIGMAR1 (0.54) SIGMAR1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL30666950 0.93 SIGMAR1 (0.55) SIGMAR1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL19041309 0.91 SIGMAR1 (0.58) SIGMAR1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL29860963 0.91 SIGMAR1 (0.58) SIGMAR1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL31052615 0.86 SIGMAR1 (0.60) SIGMAR1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL18192167 0.86 SIGMAR1 (0.60) SIGMAR1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL11704179 0.84 SIGMAR1 (0.58) SIGMAR1TP53CYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090036481-A1 Novel Azaindole Inhibitors of Mtp and Apob MERCK PATENT GMBH (DE) 2009-02-05 US claimed
EP-1771446-B1 AZAINDOLE INHIBITORS OF MTP AND APOB MERCK PATENT GMBH (DE) 2008-06-11 EP claimed
US-7838533-B2 Azaindole inhibitors of MTP and ApoB MERCK PATENT GMBH (DE) 2010-11-23 US disclosed
US-20090036481-A1 Novel Azaindole Inhibitors of Mtp and Apob MERCK PATENT GMBH (DE) 2009-02-05 US disclosed
EP-1771446-B1 AZAINDOLE INHIBITORS OF MTP AND APOB MERCK PATENT GMBH (DE) 2008-06-11 EP disclosed
EP-1771446-A2 AZAINDOLE INHIBITORS OF MTP AND APOB Merck Patent GmbH (DE) 2007-04-11 EP disclosed
WO-2006010423-A2 AZAINDOLE INHIBITORS OF MTP AND APOB MERCK PATENT GMBH (DE) 2006-02-02 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-20090036481-A1 Novel Azaindole Inhibitors of Mtp and Apob APOB, MTPN, HDLBP SIGMAR1 3262/4885TP53 3084/4885CYP1A2 1288/4885

“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.