SCHEMBL16381653

SCHEMBL16381653

CCc1cc2c(cc1-c1ccc(C(=O)Nc3c(F)cncc3F)cc1)OC(C)(C)CC2O

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 16/20 0.35
▸ CNR2 P34972 16/20 0.35
▸ KCNH2 Q12809 10/20 0.35
▸ TLR3 O15455 1/20 0.34
▸ TRPV1 Q8NER1 2/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ RAF1 P04049 1/20 0.32

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
SCHEMBL16335108 0.82 TDP1 (0.40) —
SCHEMBL16335364 0.82 KDM4E (0.40) —
SCHEMBL16335071 0.78 IL2 (0.46) —
SCHEMBL19227409 0.75 STIM1 (0.35) —
SCHEMBL16334460 0.73 TDP1 (0.42) RAF1
SCHEMBL16334785 0.73 KDM4E (0.41) KCNH2RAF1
SCHEMBL16362060 0.73 PTGER3 (0.40) TRPV1
SCHEMBL16362104 0.71 PTGER3 (0.40) TRPV1
SCHEMBL17766361 0.70 CYP11B2 (0.39) —
SCHEMBL17766354 0.70 CYP11B2 (0.39) —

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 3 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 disclosed
US-20160137659-A1 CHROMANE AND CHROMENE DERIVATIVES AND THEIR USE AS CRAC MODULATORS LUPIN LIMITED (IN) 2016-05-19 — — US disclosed
WO-2014207648-A1 CHROMANE AND CHROMENE DERIVATIVES AND THEIR USE AS CRAC MODULATORS LUPIN LIMITED (IN) 2014-12-31 — — 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-20160137659-A1 CHROMANE AND CHROMENE DERIVATIVES AND THEIR USE AS CRAC MODULATORS ORAI1, RYR2, RYR1 CNR1 121/4885CNR2 118/4885KCNH2 153/4885

“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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