SCHEMBL17746863

SCHEMBL17746863

Cc1cc2c(cc1-c1ccc(NCc3c(F)cccc3F)cc1)OC1(CCC1)CC2=O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ STIM1 Q13586 4/20 0.46
▸ ORAI1 Q96D31 4/20 0.46
▸ KDM4E B2RXH2 4/20 0.42
▸ ATM Q13315 2/20 0.41
▸ HTT P42858 1/20 0.41
▸ RAF1 P04049 2/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ TRPM8 Q7Z2W7 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ ACACB O00763 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ IL2 P60568 1/20 0.35

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
SCHEMBL16339656 0.96 STIM1 (0.42) STIM1ORAI1KDM4EATMHTT
SCHEMBL16335122 0.87 STIM1 (0.48) STIM1ORAI1KDM4EALDH1A1HPGD
SCHEMBL17746853 0.87 STIM1 (0.64) STIM1ORAI1KDM4EATMHTT
SCHEMBL17746839 0.87 STIM1 (0.42) STIM1ORAI1KDM4EATMHTT
SCHEMBL16339787 0.82 IL2 (0.53) STIM1ORAI1KDM4EATMHTT
SCHEMBL16381661 0.82 STIM1 (0.52) STIM1ORAI1KDM4EATMHTT
SCHEMBL16339606 0.81 IL2 (0.49) STIM1ORAI1KDM4EATMHTT
SCHEMBL17762912 0.80 IL2 (0.56) STIM1ORAI1KDM4EATMHTT
SCHEMBL16340083 0.80 MAPT (0.44) KDM4EHTTRAF1KCNH2TRPM8
SCHEMBL17746852 0.79 IL2 (0.47) RAF1KCNH2GAAIL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160137659-A1 CHROMANE AND CHROMENE DERIVATIVES AND THEIR USE AS CRAC MODULATORS LUPIN LIMITED (IN) 2016-05-19 — — US 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 1/4885KDM4E 3112/4885

“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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