SCHEMBL4140923

SCHEMBL4140923

CC1(C)C2CC3CC(C2)CC1(CC(=O)Cl)C3

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
BPTF Q12830 1/20 0.36
HSD11B1 P28845 3/20 0.35
GAA P10253 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
HSD17B10 Q99714 1/20 0.33
P2RX7 Q99572 1/20 0.32
KMT2A Q03164 1/20 0.32
TSHR P16473 1/20 0.32

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
Hydrochloric Acid SCHEMBL4140930 0.84 HSD11B1 (0.42) ALDH1A1BPTFHSD11B1SMN1; SMN2KMT2A
SCHEMBL17746546 0.79 ALDH1A1 (0.35) ALDH1A1GAASMN1; SMN2P2RX7KMT2A
SCHEMBL7258941 0.74 HSD11B1 (0.34) HSD11B1
SCHEMBL6860976 0.72 GAA (0.38) ALDH1A1HSD11B1GAAHSD17B10TSHR
SCHEMBL11702345 0.71 HSD11B1 (0.37) HSD11B1KMT2A
SCHEMBL1074062 0.69 ALDH1A1 (0.57) ALDH1A1BPTFHSD11B1SMN1; SMN2P2RX7
SCHEMBL25909650 0.69 ALDH1A1 (0.57) ALDH1A1BPTFHSD11B1SMN1; SMN2P2RX7
SCHEMBL5248488 0.68 THRB (0.36) ALDH1A1HSD11B1GAA
SCHEMBL11676268 0.68 EPHX2 (0.34) ALDH1A1HSD11B1KMT2A
SCHEMBL6854374 0.67 EPHX1 (0.34) ALDH1A1HSD11B1GAAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090170838-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. 2009-07-02 US disclosed
US-7402596-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2008-07-22 US disclosed
EP-1865774-A1 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF Renovis, Inc. (US) 2007-12-19 EP disclosed
US-20070197565-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. 2007-08-23 US disclosed
WO-2006102588-A1 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2006-09-28 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-20070197565-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 ALDH1A1 3640/4885BPTF 2605/4885HSD11B1 3494/4885
US-20090170838-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 ALDH1A1 3640/4885BPTF 2605/4885HSD11B1 3494/4885

“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.