SCHEMBL16335301

SCHEMBL16335301

Cc1cc2c(cc1-c1ccc(NCc3c(F)cccc3F)nc1)OC(C)(C)CC2=O

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ STIM1 Q13586 7/20 0.67
▸ ORAI1 Q96D31 7/20 0.67
▸ MAOB P27338 4/20 0.42
▸ GABRA5 P31644 1/20 0.39
▸ IL2 P60568 1/20 0.39
▸ KDM4E B2RXH2 5/20 0.39
▸ ALDH1A1 P00352 5/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ HSD17B10 Q99714 3/20 0.38
▸ GLA P06280 2/20 0.38
▸ GAA P10253 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ CASP1 P29466 2/20 0.38
▸ CASP7 P55210 2/20 0.38
▸ MAPT P10636 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
SCHEMBL17746853 0.88 STIM1 (0.64) STIM1ORAI1GABRA5IL2KDM4E
SCHEMBL16334639 0.87 STIM1 (0.55) STIM1ORAI1MAOBIL2KDM4E
SCHEMBL16335122 0.87 STIM1 (0.48) STIM1ORAI1MAOBIL2KDM4E
SCHEMBL16381685 0.83 IL2 (0.57) STIM1ORAI1MAOBIL2KDM4E
SCHEMBL14225996 0.80 STIM1 (0.77) STIM1ORAI1GABRA5
SCHEMBL14150171 0.80 STIM1 (1.00) STIM1ORAI1GABRA5
SCHEMBL14150223 0.80 STIM1 (1.00) STIM1ORAI1GABRA5IL2
SCHEMBL14225952 0.79 STIM1 (0.84) STIM1ORAI1GABRA5IL2
SCHEMBL14225921 0.77 STIM1 (0.78) STIM1ORAI1GABRA5IL2
SCHEMBL14225978 0.76 STIM1 (0.73) STIM1ORAI1GABRA5IL2

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-9790231-B2 Chromane and chromene derivatives and their use as CRAC modulators LUPIN LIMITED (IN) 2017-10-17 — — US claimed
US-20160137659-A1 CHROMANE AND CHROMENE DERIVATIVES AND THEIR USE AS CRAC MODULATORS LUPIN LIMITED (IN) 2016-05-19 — — US claimed
EP-3013810-A1 CHROMANE AND CHROMENE DERIVATIVES AND THEIR USE AS CRAC MODULATORS Lupin Limited (IN) 2016-05-04 — — EP claimed
WO-2014207648-A1 CHROMANE AND CHROMENE DERIVATIVES AND THEIR USE AS CRAC MODULATORS LUPIN LIMITED (IN) 2014-12-31 — — WO claimed
US-9790231-B2 Chromane and chromene derivatives and their use as CRAC modulators LUPIN LIMITED (IN) 2017-10-17 — — US disclosed
US-9790231-B2 Chromane and chromene derivatives and their use as CRAC modulators LUPIN LIMITED (IN) 2017-10-17 — — US disclosed
US-20160137659-A1 CHROMANE AND CHROMENE DERIVATIVES AND THEIR USE AS CRAC MODULATORS LUPIN LIMITED (IN) 2016-05-19 — — US disclosed
US-20160137659-A1 CHROMANE AND CHROMENE DERIVATIVES AND THEIR USE AS CRAC MODULATORS LUPIN LIMITED (IN) 2016-05-19 — — US disclosed
US-20160137659-A1 CHROMANE AND CHROMENE DERIVATIVES AND THEIR USE AS CRAC MODULATORS LUPIN LIMITED (IN) 2016-05-19 — — 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-20160137659-A1 CHROMANE AND CHROMENE DERIVATIVES AND THEIR USE AS CRAC MODULATORS ORAI1, RYR2, RYR1 STIM1 25/4885ORAI1 1/4885MAOB 1891/4885

“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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