SCHEMBL3365259

SCHEMBL3365259

CN(C)CCCC#Cc1ccc(CN)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 1/20 0.47
▸ NFE2L2 Q16236 1/20 0.47
▸ CHRNB2 P17787 1/20 0.43
▸ CHRNA4 P43681 1/20 0.43
▸ HRH3 Q9Y5N1 5/20 0.41
▸ LOXL2 Q9Y4K0 1/20 0.40
▸ FFAR1 O14842 1/20 0.38
▸ FFAR4 Q5NUL3 1/20 0.38
▸ ASIC3 Q9UHC3 1/20 0.35
▸ NOS3 P29474 1/20 0.35
▸ NOS1 P29475 1/20 0.35
▸ NOS2 P35228 1/20 0.35
▸ TNK2 Q07912 1/20 0.35
▸ PLAU P00749 1/20 0.34

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
SCHEMBL4173511 0.81 FFAR1 (0.51) LOXL2FFAR1FFAR4ASIC3TNK2
SCHEMBL9670709 0.80 CHRNB2 (0.59) CHRNB2CHRNA4HRH3FFAR1FFAR4
SCHEMBL6718627 0.78 FFAR1 (0.60) LOXL2FFAR1FFAR4TNK2
SCHEMBL18714798 0.78 CHRNB2 (0.44) CHRNB2CHRNA4HRH3FFAR1FFAR4
SCHEMBL6022668 0.78 FFAR1 (0.60) LOXL2FFAR1FFAR4TNK2
SCHEMBL6719972 0.78 FFAR1 (0.60) LOXL2FFAR1FFAR4TNK2
SCHEMBL6240991 0.77 LOXL2 (0.47) HRH3LOXL2FFAR1FFAR4ASIC3
SCHEMBL3365265 0.77 APP (0.44) CHRNB2CHRNA4HRH3FFAR1FFAR4
SCHEMBL12348385 0.73 FFAR1 (0.53) LOXL2FFAR1FFAR4ASIC3
SCHEMBL27981895 0.71 LOXL2 (0.64) HRH3LOXL2FFAR1ASIC3PLAU

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
EP-1303503-B1 ANILINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-01-27 — — EP disclosed
US-6683201-B2 FOR THERAPY AND PROPHYLAXIS OF HYPERCHOLESTEROLEMIA, HYPERLIPEMIA, ARTERIOSCLEROSIS, VASCULAR DISEASES, MYCOSES, PARASITE INFECTIONS, GALLSTONES, TUMORS AND/OR HYPERPROLIFERATIVE DISORDERS, DIABETES HOFFMANN-LA ROCHE INC. 2004-01-27 — — US disclosed
US-20020038025-A1 Analine derivatives as OSC inhibitors F.HOFFMANN-LA ROCHE AG (CH) 2002-03-28 — — 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-20020038025-A1 Analine derivatives as OSC inhibitors LSS, CYP51A1, CYP46A1 KEAP1 579/4885NFE2L2 2121/4885CHRNB2 4230/4885

“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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