SCHEMBL4985490

SCHEMBL4985490

COc1ccc(CN2CCc3c(ncnc3NC(=O)CC34CC5CC(CC(C5)C3)C4)C2)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 5/20 0.48
P2RX3 P56373 1/20 0.44
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TSHR P16473 1/20 0.41
EPHX2 P34913 2/20 0.41
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
TNF P01375 1/20 0.40
NOD2 Q9HC29 1/20 0.40
NOD1 Q9Y239 1/20 0.40

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
SCHEMBL5142350 0.92 P2RX7 (0.45) P2RX7P2RX3MEN1KMT2ATSHR
SCHEMBL4982482 0.91 P2RX7 (0.41) P2RX7TSHREPHX2ALDH1A1LMNA
SCHEMBL4982547 0.91 TSHR (0.43) P2RX7MEN1KMT2ATSHRALDH1A1
SCHEMBL4986137 0.91 TSHR (0.43) P2RX7TSHRALDH1A1LMNASMN1; SMN2
SCHEMBL4990757 0.90 P2RX7 (0.47) P2RX7P2RX3TSHREPHX2
SCHEMBL4989379 0.90 P2RX7 (0.42) P2RX7MEN1KMT2ATSHREPHX2
SCHEMBL4986232 0.90 EPHX2 (0.45) P2RX7P2RX3TSHREPHX2ALDH1A1
SCHEMBL4985319 0.90 EPHX2 (0.42) P2RX7P2RX3TSHREPHX2ALDH1A1
SCHEMBL4988113 0.90 P2RX7 (0.50) P2RX7MEN1KMT2ATSHRALDH1A1
SCHEMBL14272456 0.90 TSHR (0.53) P2RX7TSHRALDH1A1TNFNOD2

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 4 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
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 1/4885P2RX3 2/4885MEN1 4853/4885

“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.