SCHEMBL4281580

SCHEMBL4281580

Cc1ccc(C#CCO)cn1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.66
CYP2B6 P20813 2/20 0.66
CYP2C19 P33261 2/20 0.66
CYP1A2 P05177 1/20 0.66
CYP2E1 P05181 1/20 0.66
KMT2A Q03164 1/20 0.53
ATM Q13315 1/20 0.53
ALDH1A1 P00352 1/20 0.47
MELK Q14680 1/20 0.44
PIK3CA P42336 11/20 0.41
MTOR P42345 11/20 0.41
MMP2 P08253 1/20 0.41
MMP12 P39900 1/20 0.41
GRM5 P41594 1/20 0.41
CHRNB2 P17787 2/20 0.39
CHRNA4 P43681 2/20 0.39
HAO1 Q9UJM8 1/20 0.38
CYP2C9 P11712 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
SCHEMBL23781559 0.81 CYP2C19 (0.96) CYP2A6CYP2B6CYP2C19CYP1A2CYP2E1
SCHEMBL10398852 0.79 CYP1A2 (0.58) CYP2A6CYP2B6CYP2C19CYP1A2CYP2E1
SCHEMBL10398851 0.79 CYP1A2 (0.58) CYP2A6CYP2B6CYP2C19CYP1A2CYP2E1
SCHEMBL10398854 0.79 CYP1A2 (0.58) CYP2A6CYP2B6CYP2C19CYP1A2CYP2E1
SCHEMBL23781601 0.78 CYP2A6 (0.57) CYP2A6CYP2B6CYP2C19CYP1A2CYP2E1
SCHEMBL6179282 0.77 ALDH1A1 (0.47) CYP2A6CYP2B6CYP2C19CYP1A2CYP2E1
SCHEMBL28420710 0.77 ALDH1A1 (0.47) CYP2A6CYP2B6CYP2C19CYP1A2CYP2E1
SCHEMBL6132989 0.77 GRM5 (0.50) CYP2A6CYP2B6CYP2C19CYP1A2CYP2E1
SCHEMBL20469398 0.77 ALDH1A1 (0.44) CYP2A6CYP2B6CYP2C19CYP1A2CYP2E1
SCHEMBL31044583 0.77 GRM5 (0.50) CYP2A6CYP2B6CYP2C19CYP1A2CYP2E1

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
WO-2009153536-A1 1-AZA-BICYCLO [2.2.2] OCTANE DERIVATIVES USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS ARGENTA DISCOVERY LIMITED (GB) 2009-12-23 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 (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 CYP2A6 759/4885CYP2B6 745/4885CYP2C19 1401/4885
US-10246429-B2 Vinyl fluoride cyclopropyl fused thiazin-2-amine compounds as beta-secretase inhibitors and methods of use BACE1, BACE2, APP CYP2A6 759/4885CYP2B6 745/4885CYP2C19 1401/4885

“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.