SCHEMBL16362058

SCHEMBL16362058

CN1C(=O)COc2cc(C3CC3)c(-c3ccc(NC(=O)c4c(F)cccc4F)nc3)cc21

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ IL2 P60568 9/20 0.46
▸ GPR55 Q9Y2T6 1/20 0.44
▸ MAP3K5 Q99683 1/20 0.42
▸ HTR1F P30939 2/20 0.40
▸ CYP11B1 P15538 1/20 0.38
▸ CYP11B2 P19099 1/20 0.38
▸ BRD4 O60885 1/20 0.38
▸ MAPK7 Q13164 1/20 0.38
▸ GABRG2 P18507 3/20 0.37
▸ GABRB3 P28472 3/20 0.37
▸ GABRA5 P31644 3/20 0.37
▸ CRACR2A Q9BSW2 1/20 0.37
▸ L3MBTL1 Q9Y468 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
SCHEMBL17697817 0.97 IL2 (0.46) IL2GPR55MAP3K5HTR1FCYP11B1
SCHEMBL16362102 0.89 IL2 (0.48) IL2GPR55MAP3K5HTR1FBRD4
SCHEMBL16361893 0.89 IL2 (0.47) IL2MAP3K5CRACR2A
SCHEMBL16362103 0.87 IL2 (0.48) IL2GPR55MAP3K5CYP11B1CYP11B2
SCHEMBL17697813 0.87 IL2 (0.54) IL2GPR55MAP3K5CYP11B1CYP11B2
SCHEMBL17697811 0.86 IL2 (0.48) IL2GPR55MAP3K5HTR1FCRACR2A
SCHEMBL16362064 0.85 IL2 (0.48) IL2GPR55MAP3K5CYP11B1CYP11B2
SCHEMBL17697816 0.85 IL2 (0.47) IL2MAP3K5CRACR2A
SCHEMBL16362100 0.83 IL2 (0.44) IL2GPR55HTR1FCYP11B1CYP11B2
SCHEMBL17697815 0.82 CRACR2A (0.47) IL2MAP3K5GABRG2GABRB3GABRA5

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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