SCHEMBL1897052

SCHEMBL1897052

CC1(C)OCC(Cn2ccc3c(I)cccc3c2=O)O1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TMEM97 Q5BJF2 2/20 0.40
SIGMAR1 Q99720 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 2/20 0.39
BRD4 O60885 1/20 0.39
ABL1 P00519 1/20 0.39
RAB9A P51151 1/20 0.39
RIN1 Q13671 1/20 0.39
KDM4E B2RXH2 6/20 0.38
HSD17B10 Q99714 3/20 0.38
TSHR P16473 3/20 0.38
HPGD P15428 2/20 0.38
PLK4 O00444 1/20 0.38
FLT4 P35916 1/20 0.38
KDR P35968 1/20 0.38
TEK Q02763 1/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 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
SCHEMBL12668507 0.88 ALDH1A1 (0.50) ALDH1A1NPSR1TMEM97SIGMAR1SMN1; SMN2
SCHEMBL1899028 0.86 ALDH1A1 (0.46) ALDH1A1NPSR1TMEM97SIGMAR1SMN1; SMN2
SCHEMBL1896783 0.82 GAA (0.48) ALDH1A1NPSR1TMEM97SIGMAR1SMN1; SMN2
SCHEMBL1895133 0.75 CNR1 (0.41) TMEM97SIGMAR1HSD17B10KMT2ANAMPT
SCHEMBL850933 0.72 ALDH1A1 (0.43) ALDH1A1NPSR1TMEM97SIGMAR1SMN1; SMN2
SCHEMBL850932 0.72 ALDH1A1 (0.43) ALDH1A1NPSR1TMEM97SIGMAR1SMN1; SMN2
SCHEMBL850681 0.72 ALDH1A1 (0.43) ALDH1A1NPSR1TMEM97SIGMAR1SMN1; SMN2
SCHEMBL850680 0.72 ALDH1A1 (0.43) ALDH1A1NPSR1TMEM97SIGMAR1SMN1; SMN2
SCHEMBL14369779 0.70 ALDH1A1 (0.64) ALDH1A1NPSR1TMEM97SIGMAR1SMN1; SMN2
SCHEMBL15244603 0.69 ALDH1A1 (0.50) ALDH1A1NPSR1TMEM97SIGMAR1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1937643-B1 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF SECOND GENOME INC (US) 2016-07-13 EP disclosed
EP-1937643-B1 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF SECOND GENOME INC (US) 2016-07-13 EP disclosed
US-8779144-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof EVOTEC (US) INC. (US) 2014-07-15 US disclosed
US-8779144-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof EVOTEC (US) INC. (US) 2014-07-15 US disclosed
US-8779144-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof EVOTEC (US) INC. (US) 2014-07-15 US disclosed
US-20110118287-A1 Bicycloheteroaryl Compounds As P2X7 Modulators and Uses Thereof RENOVIS, INC. (US) 2011-05-19 US disclosed
EP-1937643-A2 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF Renovis, Inc. (US) 2008-07-02 EP disclosed
WO-2007109160-A9 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF RENOVIS INC (US) 2007-11-15 WO disclosed
WO-2007109160-A9 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF RENOVIS INC (US) 2007-11-15 WO disclosed
WO-2007109160-A2 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2007-09-27 WO disclosed
WO-2007109160-A2 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2007-09-27 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-20110118287-A1 Bicycloheteroaryl Compounds As P2X7 Modulators and Uses Thereof P2RX7, P2RX3, P2RX1 ALDH1A1 3160/4885NPSR1 292/4885TMEM97 1179/4885

“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.