SCHEMBL17595166

SCHEMBL17595166

OC1CCC2CCCC1N2Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.51
HRH3 Q9Y5N1 1/20 0.46
LMNA P02545 1/20 0.45
ALDH1A1 P00352 1/20 0.44
FUCA1 P04066 2/20 0.44
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
CHRM5 P08912 1/20 0.44
SLC18A3 Q16572 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL31045650 0.95 SIGMAR1 (0.47) SIGMAR1HRH3LMNAALDH1A1CHRM2
SCHEMBL6615398 0.87 SIGMAR1 (0.51) SIGMAR1LMNAALDH1A1CHRM2CHRM4
SCHEMBL6615394 0.87 SIGMAR1 (0.51) SIGMAR1LMNAALDH1A1CHRM2CHRM4
SCHEMBL1723411 0.84 CHRM2 (0.58) SIGMAR1HRH3LMNAALDH1A1CHRM2
SCHEMBL5728905 0.84 CHRM2 (0.58) SIGMAR1HRH3LMNAALDH1A1CHRM2
SCHEMBL4870895 0.82 CHRM2 (0.60) SIGMAR1HRH3LMNAALDH1A1CHRM2
SCHEMBL522055 0.82 CYP3A4 (0.52) SIGMAR1ALDH1A1CHRM2CHRM4CHRM5
SCHEMBL522470 0.82 CYP3A4 (0.52) SIGMAR1ALDH1A1CHRM2CHRM4CHRM5
SCHEMBL8273913 0.82 CYP3A4 (0.52) SIGMAR1ALDH1A1CHRM2CHRM4CHRM5
SCHEMBL522054 0.82 CYP3A4 (0.52) SIGMAR1ALDH1A1CHRM2CHRM4CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3191492-B1 P2X7 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2019-01-09 EP disclosed
EP-3191492-B1 P2X7 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2019-01-09 EP disclosed
US-10150766-B2 P2X7 modulators JANSSEN PHARMACEUTICA NV (BE) 2018-12-11 US disclosed
US-20170342066-A1 P2X7 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2017-11-30 US disclosed
US-20170342066-A1 P2X7 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2017-11-30 US disclosed
US-20170342066-A1 P2X7 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2017-11-30 US disclosed
EP-3191492-A1 P2X7 MODULATORS Janssen Pharmaceutica, N.V. (BE) 2017-07-19 EP disclosed
WO-2016039977-A1 P2X7 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2016-03-17 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 (2 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-10150766-B2 P2X7 modulators P2RX7, P2RX4, P2RX1 SIGMAR1 956/4885HRH3 1470/4885LMNA 2334/4885
US-20170342066-A1 P2X7 MODULATORS P2RX7, P2RX4, P2RX1 SIGMAR1 956/4885HRH3 1470/4885LMNA 2334/4885

“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.