SCHEMBL3365265

SCHEMBL3365265

CNc1ccc(C#CCCCN(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 7/20 0.44
▸ CHRNB2 P17787 2/20 0.43
▸ CHRNA4 P43681 2/20 0.43
▸ ADORA3 P0DMS8 1/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.35
▸ CACNA1B Q00975 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ GABRP O00591 1/20 0.33
▸ GABRD O14764 1/20 0.33
▸ GABRA1 P14867 1/20 0.33
▸ GABRB1 P18505 1/20 0.33
▸ GABRG2 P18507 1/20 0.33
▸ GABRB3 P28472 1/20 0.33
▸ GABRA5 P31644 1/20 0.33

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
SCHEMBL9670709 0.80 CHRNB2 (0.59) CHRNB2CHRNA4HRH3ALDH1A1GABRP
SCHEMBL1312311 0.79 APP (0.52) APPHRH3ALDH1A1CYP1A2CYP3A4
SCHEMBL3365259 0.77 KEAP1 (0.47) CHRNB2CHRNA4HRH3FFAR1FFAR4
SCHEMBL18714798 0.75 CHRNB2 (0.44) APPCHRNB2CHRNA4ADORA3HRH3
SCHEMBL8422557 0.71 APP (0.77) APPALDH1A1CYP3A4MAPTTSHR
SCHEMBL14418991 0.71 APP (0.59) APPHRH3ALDH1A1CYP3A4TSHR
SCHEMBL4742897 0.71 CHRNB2 (0.64) APPCHRNB2CHRNA4HRH3ALDH1A1
SCHEMBL15807616 0.69 PTPN2 (0.44) CHRNB2CHRNA4MAPT
SCHEMBL23970012 0.67 LSS (0.68) APPHRH3CACNA1BALDH1A1CYP1A2
SCHEMBL3365118 0.67 CHRNB2 (0.46) CHRNB2CHRNA4HRH3ALDH1A1CYP1A2

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 5 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
EP-1303503-A2 ANILINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-04-23 — — EP disclosed
US-20020038025-A1 Analine derivatives as OSC inhibitors F.HOFFMANN-LA ROCHE AG (CH) 2002-03-28 — — US disclosed
WO-2002006189-A2 ANILINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-01-24 — — 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-20020038025-A1 Analine derivatives as OSC inhibitors LSS, CYP51A1, CYP46A1 APP 1974/4885CHRNB2 4230/4885CHRNA4 3974/4885

“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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