SCHEMBL4980919

SCHEMBL4980919

COc1ccc(C(=O)N2CCc3c(N)ncnc3C2)c(OC)c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 2/20 0.52
TSHR P16473 2/20 0.47
HCRTR2 O43614 5/20 0.45
HCRTR1 O43613 4/20 0.45
HTT P42858 2/20 0.44
HSD11B1 P28845 1/20 0.43
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
HPGD P15428 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CPS1 P31327 1/20 0.41
MAPT P10636 1/20 0.40
P2RX7 Q99572 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
SCHEMBL4988102 0.86 HTT (0.50) TSHRHTTKDM4EALDH1A1HSD17B10
SCHEMBL4989547 0.84 HPGD (0.49) ALDH1A1HPGD
SCHEMBL4985380 0.82 ALDH1A1 (0.51) ALDH1A1HPGD
SCHEMBL4986960 0.81 KDM4E (0.46) TSHRKDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL4989398 0.81 MAPK1 (0.58) HTTKDM4EALDH1A1LMNAHPGD
SCHEMBL4988726 0.81 P2RX3 (0.46) HSP90AB1KDM4EALDH1A1HSD17B10MAPT
SCHEMBL4992444 0.78 NPC1 (0.49) HTTKDM4EALDH1A1LMNAHPGD
SCHEMBL14272328 0.78 TSHR (0.49) HSP90AB1TSHRHCRTR2HCRTR1HSD11B1
SCHEMBL13522618 0.78 HSP90AB1 (0.43) HSP90AB1TSHRHCRTR2HCRTR1HTT
SCHEMBL13522619 0.78 MAPT (0.43) HSP90AB1TSHRHCRTR2HCRTR1HTT

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 2 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

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 HSP90AB1 1175/4885TSHR 3850/4885HCRTR2 334/4885

“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.