SCHEMBL13046740

SCHEMBL13046740

COc1cc(OC)cc(C(=O)Nc2cccc3c(=O)n(CC4CCOCC4)ccc23)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.49
CNR2 P34972 8/20 0.46
CNR1 P21554 7/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42
GPR139 Q6DWJ6 1/20 0.42
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 1/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 1/20 0.41
GRM2 Q14416 1/20 0.41
CYP1A1 P04798 1/20 0.40
CYP1B1 Q16678 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
SCHEMBL13046797 0.89 CNR2 (0.41) TSHRCNR2CNR1MAPTSMN1; SMN2
SCHEMBL13047668 0.89 MAPT (0.46) TSHRMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL13046795 0.88 POLB (0.46) TSHRCNR2CNR1ALDH1A1LMNA
SCHEMBL13046606 0.87 RAB9A (0.44) TSHRMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL13047368 0.86 CNR2 (0.47) CNR2CNR1KMT2AMAPTALDH1A1
SCHEMBL13046830 0.86 ALDH1A1 (0.44) TSHRCNR2CNR1MEN1KMT2A
SCHEMBL13046607 0.85 KMT2A (0.46) TSHRCNR2CNR1MEN1KMT2A
SCHEMBL13046744 0.85 PIK3CD (0.46) TSHRCNR2MEN1KMT2AMAPT
SCHEMBL13046742 0.85 GAA (0.45) CNR2CNR1MEN1KMT2AMAPT
SCHEMBL13046754 0.84 GPR35 (0.44) CNR2CNR1MEN1KMT2AMAPT

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-8546579-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof EVOTEC (US) INC. (US) 2013-10-01 US disclosed
US-8546579-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof EVOTEC (US) INC. (US) 2013-10-01 US disclosed
US-20100292235-A1 Bicycloheteroaryl Compounds as P2x7 Modulators and Uses Thereof SECOND GENOME, INC. 2010-11-18 US disclosed
US-20100292235-A1 Bicycloheteroaryl Compounds as P2x7 Modulators and Uses Thereof SECOND GENOME, INC. 2010-11-18 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-20100292235-A1 Bicycloheteroaryl Compounds as P2x7 Modulators and Uses Thereof P2RX7, P2RX3, P2RX2 TSHR 3850/4885CNR2 42/4885CNR1 49/4885

“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.