SCHEMBL18407705

SCHEMBL18407705

Cc1ccc2c(c1)nc(C)n2CC1CC1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 0.57
P2RX3 P56373 7/20 0.47
P2RX2 Q9UBL9 2/20 0.46
NLRP3 Q96P20 1/20 0.46
KCNH2 Q12809 1/20 0.45
KDM4E B2RXH2 1/20 0.44
RAD52 P43351 1/20 0.44
MCHR1 Q99705 1/20 0.44
TLR8 Q9NR97 1/20 0.43

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
SCHEMBL18731913 0.88 CNR2 (0.48) CNR2P2RX3KCNH2KDM4ETLR8
SCHEMBL3617884 0.85 KDM4E (0.64) CNR2KCNH2KDM4ERAD52
SCHEMBL13035832 0.81 TNF (0.57) CNR2KDM4E
SCHEMBL16806056 0.81 CYP1A2 (0.53) CNR2KCNH2
SCHEMBL2950054 0.79 CNR2 (0.65) CNR2KCNH2KDM4E
SCHEMBL10989096 0.78 KDM4E (0.68) NLRP3KDM4ERAD52TLR8
SCHEMBL13043873 0.77 NLRP3 (0.50) NLRP3KDM4ERAD52TLR8
SCHEMBL3610430 0.76 CNR2 (0.46) CNR2KCNH2
SCHEMBL16806051 0.76 CNR2 (0.46) CNR2
SCHEMBL3622413 0.76 KDM4E (0.49) CNR2KDM4ERAD52

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-9718817-B2 Aryl and heteroaryl ether compounds as ROR gamma modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2017-08-01 US disclosed
US-20170022195-A1 ARYL AND HETEROARYL ETHER COMPOUNDS AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2017-01-26 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-20170022195-A1 ARYL AND HETEROARYL ETHER COMPOUNDS AS ROR GAMMA MODULATORS RORB, RORA, RORC CNR2 84/4885P2RX3 753/4885P2RX2 992/4885

“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.