SCHEMBL4980956

SCHEMBL4980956

O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ncnc2c1CCN(CCc1ccccc1)C2

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 5/20 0.46
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HSD11B1 P28845 1/20 0.42
PTPN2 P17706 1/20 0.41
PTPN1 P18031 1/20 0.41
TSHR P16473 1/20 0.41
LMNA P02545 1/20 0.40
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ALOX12 P18054 1/20 0.39
EPHX2 P34913 1/20 0.39

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
SCHEMBL4985340 0.95 P2RX7 (0.44) P2RX7MEN1KMT2APTPN2PTPN1
SCHEMBL4983637 0.91 P2RX7 (0.47) P2RX7MEN1KMT2AHSD11B1TSHR
SCHEMBL4992072 0.87 TSHR (0.45) P2RX7MEN1KMT2ATSHRUSP2
SCHEMBL4990836 0.86 ALDH1A1 (0.46) P2RX7MEN1KMT2ATSHRLMNA
SCHEMBL14272208 0.85 TSHR (0.41) P2RX7MEN1KMT2ATSHRLMNA
SCHEMBL4988545 0.85 TSHR (0.43) P2RX7KMT2ATSHRLMNAALDH1A1
SCHEMBL4989489 0.84 ALDH1A1 (0.49) P2RX7MEN1KMT2AHSD11B1TSHR
SCHEMBL4988064 0.84 ALDH1A1 (0.47) P2RX7MEN1KMT2ATSHRLMNA
SCHEMBL4989379 0.84 P2RX7 (0.42) P2RX7MEN1KMT2ATSHRLMNA
SCHEMBL4982819 0.83 LMNA (0.43) P2RX7MEN1KMT2APTPN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof RENOVIS, INC. 2008-02-14 US claimed
US-7297700-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2007-11-20 US claimed
US-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof RENOVIS, INC. 2008-02-14 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-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof P2RX7, P2RX3, P2RX2 P2RX7 1/4885MEN1 4853/4885KMT2A 4614/4885

“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.