SCHEMBL6443722

SCHEMBL6443722

C=C[C@@H](N)Cc1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.43
TRPA1 O75762 2/20 0.41
TAAR1 Q96RJ0 1/20 0.40
IDO1 P14902 4/20 0.39
AGXT P21549 2/20 0.39
MAOB P27338 4/20 0.37
MAOA P21397 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
SLC6A4 P31645 1/20 0.34
AOC3 Q16853 2/20 0.34
AOC2 O75106 1/20 0.34
CPA1 P15085 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
SCHEMBL6444854 1.00 LOXL2 (0.43) LOXL2TRPA1TAAR1IDO1AGXT
SCHEMBL18856426 0.80 TRPA1 (0.45) LOXL2TRPA1TAAR1IDO1AGXT
SCHEMBL21284927 0.79 IDO1 (0.39) IDO1
SCHEMBL20825046 0.79 TAAR1 (0.40) TAAR1IDO1AGXTMAOBMAOA
SCHEMBL12809801 0.79 LOXL2 (0.43) LOXL2TRPA1TAAR1IDO1AGXT
SCHEMBL2269305 0.79 LOXL2 (0.43) LOXL2TRPA1TAAR1IDO1AGXT
SCHEMBL20115464 0.79 TAAR1 (0.40) TAAR1MAOASMN1; SMN2SLC6A4
SCHEMBL20825150 0.79 TAAR1 (0.55) TAAR1
SCHEMBL2268274 0.79 LOXL2 (0.43) LOXL2TRPA1TAAR1IDO1AGXT
SCHEMBL7435082 0.79 TAAR1 (0.46) TAAR1IDO1MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008073458-A2 FIBRIN-BINDING PEPTIDES AND CONJUGATES THEREOF BRACCO IMAGING S.P.A. (IT) 2008-06-19 WO disclosed
US-20050130941-A1 Methods of treating alzheimer's disease PHARMACIA & UPJOHN COMPANY LLC 2005-06-16 US disclosed
EP-1392315-A1 METHODS OF TREATING ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2004-03-03 EP disclosed
WO-2002100410-A1 METHODS OF TREATING ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-12-19 WO disclosed
US-5753652-A Antiretroviral hydrazine derivatives NOVARTIS CORPORATION (US) 1998-05-19 US disclosed
US-5670497-A RETROVIRAL PROTEASE INHIBITORS CIBA-GEIGY CORPORATION (US) 1997-09-23 US disclosed
EP-0521827-B1 Pharmacological active hydrazin derivatives and process for their preparation CIBA GEIGY AG (CH) 1996-09-25 EP disclosed
EP-0604368-B1 Anti retroviral hydrazine derivatives CIBA GEIGY AG (CH) 1996-09-18 EP disclosed
EP-0604368-A1 Anti retroviral hydrazine derivatives CIBA-GEIGY AG (CH) 1994-06-29 EP disclosed
EP-0521827-A1 Pharmacological active hydrazin derivatives and process for their preparation CIBA-GEIGY AG (CH) 1993-01-07 EP 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-20050130941-A1 Methods of treating alzheimer's disease BACE1, PSEN1, BACE2 LOXL2 3067/4885TRPA1 4562/4885TAAR1 3062/4885

“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.