SCHEMBL3701192

SCHEMBL3701192

N#Cc1ccc([C@H]2CCC(=O)C2)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 2/20 0.46
▸ CYP19A1 P11511 9/20 0.42
▸ CYP11B1 P15538 3/20 0.42
▸ CYP11B2 P19099 3/20 0.42
▸ KCNH2 Q12809 2/20 0.42
▸ PDE4A P27815 1/20 0.40
▸ PDE4B Q07343 1/20 0.40
▸ PDE4C Q08493 1/20 0.40
▸ PDE4D Q08499 1/20 0.40
▸ DDB1 Q16531 1/20 0.39
▸ CRBN Q96SW2 1/20 0.39
▸ GRIA1 P42261 1/20 0.38
▸ GRIA2 P42262 1/20 0.38
▸ GRIA3 P42263 1/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.38
▸ USP30 Q70CQ3 1/20 0.37
▸ HSD11B1 P28845 1/20 0.36

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
SCHEMBL4251658 1.00 ESR2 (0.46) ESR2CYP19A1CYP11B1CYP11B2KCNH2
SCHEMBL3696692 1.00 ESR2 (0.46) ESR2CYP19A1CYP11B1CYP11B2KCNH2
SCHEMBL3663084 0.90 ESR2 (0.46) ESR2CYP19A1CYP11B1CYP11B2KCNH2
SCHEMBL250838 0.89 ESR2 (0.58) ESR2CYP19A1CYP11B1CYP11B2KCNH2
SCHEMBL5830154 0.88 CYP19A1 (0.45) ESR2CYP19A1CYP11B1CYP11B2KCNH2
Ethylene SCHEMBL8882388 0.86 ESR2 (0.55) ESR2CYP19A1CYP11B1CYP11B2KCNH2
SCHEMBL9291508 0.84 ESR2 (0.53) ESR2CYP19A1CYP11B1CYP11B2KCNH2
SCHEMBL11823167 0.81 MAPT (0.57) CYP19A1CYP11B1CYP11B2KCNH2GRIA1
SCHEMBL12227465 0.79 ESR2 (0.43) ESR2PDE4APDE4BPDE4CPDE4D
SCHEMBL5958188 0.76 GRIA1 (0.49) ESR2CYP19A1CYP11B1CYP11B2KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8765676-B2 Calcium sensing receptor modulating compounds and pharmaceutical use thereof LEO PHARMA A/S (DK) 2014-07-01 — — US disclosed
US-20120122784-A1 NOVEL CALCIUM SENSING RECEPTOR MODULATING COMPOUNDS AND PHARMACEUTICAL USE THEREOF LEO PHARMA A/S (DK) 2012-05-17 — — 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-20120122784-A1 NOVEL CALCIUM SENSING RECEPTOR MODULATING COMPOUNDS AND PHARMACEUTICAL USE THEREOF CASR, SARAF, ORAI1 ESR2 974/4885CYP19A1 2928/4885CYP11B1 1806/4885

“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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