SCHEMBL14996187

SCHEMBL14996187

CCC(=O)N1CCC(F)CC1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 10/20 0.53
▸ ALDH1A1 P00352 2/20 0.47
▸ CHRNB2 P17787 2/20 0.45
▸ CHRNA3 P32297 2/20 0.45
▸ CHRNA4 P43681 2/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ CHRNB3 Q05901 1/20 0.45
▸ CHRNA6 Q15825 1/20 0.45
▸ GNAI3 P08754 1/20 0.44
▸ GNAO1 P09471 1/20 0.44
▸ GNAI1 P63096 1/20 0.44
▸ EPHX1 P07099 1/20 0.44
▸ CHRNB4 P30926 1/20 0.44
▸ CHRNA7 P36544 1/20 0.44
▸ BLM P54132 1/20 0.43
▸ DPP4 P27487 2/20 0.42
▸ DPP8 Q6V1X1 1/20 0.42
▸ DPP9 Q86TI2 1/20 0.42

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
SCHEMBL10305046 0.87 DPP4 (0.51) EPHX2ALDH1A1CHRNB2CHRNA3CHRNA4
SCHEMBL10305033 0.87 DPP4 (0.51) EPHX2ALDH1A1CHRNB2CHRNA3CHRNA4
SCHEMBL14996176 0.87 DPP4 (0.51) EPHX2ALDH1A1CHRNB2CHRNA3CHRNA4
SCHEMBL11717 0.84 GNAI3 (0.61) EPHX2ALDH1A1CHRNB2CHRNA3CHRNA4
SCHEMBL13059514 0.83 GNAI3 (0.54) EPHX2ALDH1A1CHRNB2CHRNA3CHRNA4
SCHEMBL10282539 0.82 ALDH1A1 (0.67) EPHX2ALDH1A1CHRNB2CHRNA3CHRNA4
SCHEMBL7487836 0.82 EPHX2 (0.53) EPHX2ALDH1A1CHRNB2CHRNA3CHRNA4
SCHEMBL21655193 0.81 EPHX2 (0.49) EPHX2ALDH1A1CHRNB2CHRNA3CHRNA4
SCHEMBL18696975 0.80 EPHX2 (0.51) EPHX2ALDH1A1CHRNB2CHRNA3CHRNA4
SCHEMBL4487574 0.80 EPHX2 (0.51) EPHX2ALDH1A1CHRNB2CHRNA3CHRNA4

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-10246429-B2 Vinyl fluoride cyclopropyl fused thiazin-2-amine compounds as beta-secretase inhibitors and methods of use AMGEN INC. (US) 2019-04-02 — — US disclosed
US-20180222876-A1 VINYL FLUORIDE CYCLOPROPYL FUSED THIAZIN-2-AMINE COMPOUNDS AS BETA-SECRETASE INHIBITORS AND METHODS OF USE AMGEN INC. (US) 2018-08-09 — — US disclosed
US-8455479-B2 Heterocyclic compounds PANACEA BIOTEC LIMITED (IN) 2013-06-04 — — 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 (2 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-20180222876-A1 VINYL FLUORIDE CYCLOPROPYL FUSED THIAZIN-2-AMINE COMPOUNDS AS BETA-SECRETASE INHIBITORS AND METHODS OF USE BACE1, BACE2, APP EPHX2 929/4885ALDH1A1 1466/4885CHRNB2 121/4885
US-10246429-B2 Vinyl fluoride cyclopropyl fused thiazin-2-amine compounds as beta-secretase inhibitors and methods of use BACE1, BACE2, APP EPHX2 929/4885ALDH1A1 1466/4885CHRNB2 121/4885

“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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