SCHEMBL4455694

SCHEMBL4455694

[CH]1NCCc2nc3ccccc3cc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
MAPT P10636 3/20 0.42
HPGD P15428 3/20 0.42
GLA P06280 2/20 0.42
ACHE P22303 1/20 0.42
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
CTSK P43235 1/20 0.36
KMT2A Q03164 5/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
MEN1 O00255 2/20 0.35
KDM4E B2RXH2 5/20 0.33
GAA P10253 3/20 0.33
MAPK1 P28482 3/20 0.33
CYP3A4 P08684 3/20 0.33
HSD17B10 Q99714 2/20 0.33
HTR3A P46098 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
CYP2D6 P10635 2/20 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
SCHEMBL223759 0.86 ALDH1A1 (0.45) ALDH1A1MAPTHPGDGLAACHE
SCHEMBL4909845 0.73 ALDH1A1 (0.46) ALDH1A1MAPTHPGDGLAACHE
SCHEMBL222038 0.72 ALDH1A1 (0.42) ALDH1A1MAPTHPGDGLAACHE
SCHEMBL8803451 0.71 ALDH1A1 (0.46) ALDH1A1MAPTHPGDGLAACHE
SCHEMBL222933 0.71 HTR2C (0.37) ALDH1A1HPGDKMT2AMEN1GAA
Hydrochloric Acid SCHEMBL27695757 0.70 ALDH1A1 (0.45) ALDH1A1MAPTHPGDGLAACHE
SCHEMBL31030237 0.70 ALDH1A1 (0.43) ALDH1A1MAPTHPGDGLAACHE
SCHEMBL9099825 0.70 ALDH1A1 (0.43) ALDH1A1MAPTHPGDGLAACHE
SCHEMBL6312101 0.70 HTR2C (0.47) ALDH1A1MAPTHPGDGLAACHE
SCHEMBL30751773 0.69 CYP3A4 (0.55) ALDH1A1MAPTHPGDGLAACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114269730-A 5-heteroaryl-pyridin-2-amine compounds as neuropeptide FF receptor antagonists 多曼治疗学公司 2022-04-01 CN disclosed
US-7582794-B2 Process for the preparation of substituted 2-(phenoxymethyl)benzoic acids SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-09-01 US disclosed
EP-1699748-B1 METHOD FOR THE PRODUCTION OF SUBSTITUTED 2-(PHENOXYMETHYL)-BENZOIC ACIDS SANOFI AVENTIS DEUTSCHLAND (DE) 2008-10-15 EP disclosed
US-20070219395-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED 2-(PHENOXYMETHYL)BENZOIC ACIDS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-09-20 US disclosed
US-7238835-B2 Process for the preparation of substituted 2-(phenoxymethyl) benzoic acids SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-07-03 US disclosed
EP-1699748-A2 METHOD FOR THE PRODUCTION OF SUBSTITUTED 2-(PHENOXYMETHYL)-BENZOIC ACIDS Sanofi-Aventis Deutschland GmbH (DE) 2006-09-13 EP disclosed
US-20050171205-A1 Process for the preparation of substituted 2-(phenoxymethyl) benzoic acids AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-08-04 US disclosed
WO-2005061427-A2 METHOD FOR THE PRODUCTION OF SUBSTITUTED 2-(PHENOXYMETHYL)-BENZOIC ACIDS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2005-07-07 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-20070219395-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED 2-(PHENOXYMETHYL)BENZOIC ACIDS CYP2B6, CYP1B1, CYP4B1 ALDH1A1 285/4885MAPT 4159/4885HPGD 641/4885
US-20050171205-A1 Process for the preparation of substituted 2-(phenoxymethyl) benzoic acids CYP2B6, CYP1B1, CYP4B1 ALDH1A1 285/4885MAPT 4159/4885HPGD 641/4885

“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.