SCHEMBL16362064

SCHEMBL16362064

CCc1cc2c(cc1-c1ccc(NC(=O)c3c(F)cccc3F)nc1)OCC(=O)N2C

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ IL2 P60568 12/20 0.48
▸ GPR55 Q9Y2T6 1/20 0.45
▸ MAP3K5 Q99683 1/20 0.42
▸ STIM1 Q13586 1/20 0.39
▸ ORAI1 Q96D31 1/20 0.39
▸ CYP11B1 P15538 1/20 0.39
▸ CYP11B2 P19099 1/20 0.39
▸ SCN5A Q14524 1/20 0.39
▸ SCN9A Q15858 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ PTGER3 P43115 1/20 0.37

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
SCHEMBL16362103 0.97 IL2 (0.48) IL2GPR55MAP3K5CYP11B1CYP11B2
SCHEMBL17697813 0.90 IL2 (0.54) IL2GPR55MAP3K5STIM1ORAI1
SCHEMBL16362057 0.89 IL2 (0.56) IL2GPR55MAP3K5STIM1ORAI1
SCHEMBL17697814 0.88 IL2 (0.46) IL2MAP3K5STIM1ORAI1
SCHEMBL17697817 0.87 IL2 (0.46) IL2GPR55MAP3K5CYP11B1CYP11B2
SCHEMBL16362058 0.85 IL2 (0.46) IL2GPR55MAP3K5CYP11B1CYP11B2
SCHEMBL16362448 0.85 IL2 (0.56) IL2GPR55MAP3K5STIM1ORAI1
SCHEMBL16362447 0.84 IL2 (0.46) IL2MAP3K5STIM1ORAI1
SCHEMBL17697823 0.80 IL2 (0.56) IL2GPR55MAP3K5STIM1ORAI1
SCHEMBL17697811 0.78 IL2 (0.48) IL2GPR55MAP3K5STIM1ORAI1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9725463-B2 Substituted heterocyclic compounds as CRAC modulators LUPIN LIMITED (IN) 2017-08-08 — — US claimed
US-20160145268-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS CRAC MODULATORS LUPIN LIMITED (IN) 2016-05-26 — — US claimed
EP-3010586-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS CRAC MODULATORS Lupin Limited (IN) 2016-04-27 — — EP claimed
US-9725463-B2 Substituted heterocyclic compounds as CRAC modulators LUPIN LIMITED (IN) 2017-08-08 — — US disclosed
US-9725463-B2 Substituted heterocyclic compounds as CRAC modulators LUPIN LIMITED (IN) 2017-08-08 — — US disclosed
US-9725463-B2 Substituted heterocyclic compounds as CRAC modulators LUPIN LIMITED (IN) 2017-08-08 — — US disclosed
US-20160145268-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS CRAC MODULATORS LUPIN LIMITED (IN) 2016-05-26 — — US disclosed
US-20160145268-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS CRAC MODULATORS LUPIN LIMITED (IN) 2016-05-26 — — US disclosed
US-20160145268-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS CRAC MODULATORS LUPIN LIMITED (IN) 2016-05-26 — — US disclosed
WO-2014203217-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS CRAC MODULATORS LUPIN LIMITED (IN) 2014-12-24 — — 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-20160145268-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS CRAC MODULATORS RYR2, NR2C2, CACNA1E IL2 2831/4885GPR55 385/4885MAP3K5 3653/4885

“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.

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