SCHEMBL17186715

SCHEMBL17186715

CCN(C(=O)C(C)(C)Oc1ccc(N)cc1)c1ccc(Cl)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 5/20 0.43
CYP3A4 P08684 3/20 0.43
CYP1A2 P05177 2/20 0.43
TSHR P16473 2/20 0.43
ABCB11 O95342 1/20 0.43
HTR2A P28223 1/20 0.43
PMP22 Q01453 1/20 0.43
LMNA P02545 1/20 0.42
MEN1 O00255 1/20 0.42
CYP2D6 P10635 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
GAA P10253 1/20 0.41
MCOLN3 Q8TDD5 1/20 0.41
FSCN1 Q16658 1/20 0.38
ALDH1A1 P00352 2/20 0.38
PPARG P37231 2/20 0.38
FABP2 P12104 1/20 0.38
SLC22A12 Q96S37 1/20 0.38

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
SCHEMBL17187142 0.84 FBP1 (0.41) PPARACYP3A4CYP1A2TSHRABCB11
SCHEMBL17186822 0.83 PPARA (0.50) PPARACYP3A4CYP1A2TSHRABCB11
SCHEMBL5358157 0.80 PPARA (0.44) PPARALMNAGAAMCOLN3PPARG
SCHEMBL17187011 0.77 PPARA (0.36) PPARACYP3A4CYP1A2TSHRABCB11
SCHEMBL17186721 0.75 RORC (0.68)
SCHEMBL3550668 0.74 TRPM8 (0.52) PPARACYP3A4CYP1A2TSHRABCB11
SCHEMBL11387030 0.71 PPARA (0.60) PPARACYP3A4CYP1A2TSHRABCB11
SCHEMBL17186827 0.71 PPARA (0.53) PPARACYP3A4CYP1A2TSHRABCB11
SCHEMBL6976100 0.71 CYP3A4 (0.58) CYP3A4CYP1A2TSHRMEN1CYP2D6
SCHEMBL9303083 0.68 PPARA (0.56) PPARACYP3A4CYP1A2TSHRABCB11

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 9 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-9718817-B2 Aryl and heteroaryl ether compounds as ROR gamma modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2017-08-01 US disclosed
US-9718817-B2 Aryl and heteroaryl ether compounds as ROR gamma modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2017-08-01 US disclosed
EP-3131880-A1 ARYL AND HETEROARYL ETHER COMPOUNDS AS ROR GAMMA MODULATORS Glenmark Pharmaceuticals S.A. (CH) 2017-02-22 EP disclosed
US-20170022195-A1 ARYL AND HETEROARYL ETHER COMPOUNDS AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2017-01-26 US disclosed
US-20170022195-A1 ARYL AND HETEROARYL ETHER COMPOUNDS AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2017-01-26 US disclosed
US-20170022195-A1 ARYL AND HETEROARYL ETHER COMPOUNDS AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2017-01-26 US disclosed
WO-2015159233-A1 ARYL AND HETEROARYL ETHER COMPOUNDS AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2015-10-22 WO disclosed
WO-2015159233-A1 ARYL AND HETEROARYL ETHER COMPOUNDS AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2015-10-22 WO 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 PPARA 63/4885CYP3A4 350/4885CYP1A2 155/4885

“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.