SCHEMBL888152

SCHEMBL888152

CN(C)CCCN=C=NCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
SIGMAR1 Q99720 1/20 0.47
TAAR1 Q96RJ0 1/20 0.44
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
MIF P14174 3/20 0.43
ALDH1A1 P00352 2/20 0.43
TRPA1 O75762 1/20 0.43
CYP3A4 P08684 1/20 0.43
HPGD P15428 1/20 0.43
HRH1 P35367 2/20 0.40
HTR2A P28223 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
TSHR P16473 1/20 0.38

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
Hydrochloric Acid SCHEMBL1689433 0.98 CYP1A2 (0.51) CYP1A2CYP2D6SIGMAR1TAAR1MAOA
SCHEMBL22065483 0.87 CYP1A2 (0.44) CYP1A2CYP2D6SIGMAR1TAAR1MAOA
SCHEMBL8973710 0.83 CA12 (0.40) CYP1A2CYP2D6CYP3A4
SCHEMBL20025625 0.82 MIF (0.52) MAOAMAOBMIFALDH1A1TRPA1
SCHEMBL10592677 0.81 MIF (0.47) CYP1A2CYP2D6SIGMAR1MAOAMAOB
SCHEMBL3830223 0.78 CYP1A2 (0.82) CYP1A2CYP2D6ALDH1A1SMN1; SMN2TSHR
SCHEMBL2046670 0.78 MIF (0.65) SIGMAR1MIFALDH1A1TRPA1CYP3A4
SCHEMBL11322654 0.77 KCNH2 (0.43) CYP1A2CYP2D6SIGMAR1MIFALDH1A1
SCHEMBL6238480 0.75 CYP1A2 (0.55) CYP1A2CYP2D6SIGMAR1TAAR1MAOA
SCHEMBL21675912 0.74 MIF (0.59) CYP2D6TAAR1MIFALDH1A1TRPA1

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 77 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3095782-A1 NEW METHOD FOR PREPARING 3-(4-METHYL-1H-IMIDAZOL-1-YL)-5-(TRIFLUOROMETHYL)BENZENAMINE Esteve Química, S.A. (ES) 2016-11-23 EP claimed
US-20110275077-A1 Oligonucleotide-Coated Affinity Membranes and Uses Thereof JAMES WILLIAM 2011-11-10 US claimed
WO-2010081114-A2 OLIGONUCLEOTIDE-COATED AFFINITY MEMBRANES AND USES THEREOF 20/20 GENESYSTEMS, INC. (US) 2010-07-15 WO claimed
EP-1305064-B1 BIOABSORBABLE COMPOSITES OF DERIVATIZED HYALURONIC ACID ANIKA THERAPEUTICS INC (US) 2008-04-23 EP claimed
US-RE37160-E1 COUPLING A HYDROXYPHENYL CARBOXYLIC ACID WITH AN L-TYROSINE ESTER IN A WATER-MISCIBLE ORGANIC REACTION SOLVENT CONTAINING A CARBODIIMIDE CAPABLE OF FORMING A WATER-SOLVENT UREA BY-PRODUCT RUTGERS, THE STATE UNIVERSITY 2001-05-01 US claimed
EP-0824513-B1 IMPROVED SYNTHESIS OF TYROSINE-DERIVED DIPHENOL MONOMERS UNIV RUTGERS (US) 2000-07-19 EP claimed
US-5834273-A URICASE MODIFIED BY REACTING WITH POLYAMINO ACID CONTAINING GLUTAMIC ACID OR ASPARTIC ACID RESIDUES WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1998-11-10 US claimed
EP-0824513-A1 IMPROVED SYNTHESIS OF TYROSINE-DERIVED DIPHENOL MONOMERS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 1998-02-25 EP claimed
EP-0824513-A4 1998-02-25 EP claimed
US-5587507-A PURIFICATION BY FORMING WATER SOLUBLE UREA BY-PRODUCT RUTGERS, THE STATE UNIVERSITY (US) 1996-12-24 US claimed
WO-1996030331-A1 IMPROVED SYNTHESIS OF TYROSINE-DERIVED DIPHENOL MONOMERS RUTGERS, THE STATE UNIVERSITY (US) 1996-10-03 WO claimed
EP-3095782-A1 NEW METHOD FOR PREPARING 3-(4-METHYL-1H-IMIDAZOL-1-YL)-5-(TRIFLUOROMETHYL)BENZENAMINE Esteve Química, S.A. (ES) 2016-11-23 EP disclosed
US-20110275077-A1 Oligonucleotide-Coated Affinity Membranes and Uses Thereof JAMES WILLIAM 2011-11-10 US disclosed
EP-2023970-B1 BIOACTIVE POLYMERS FOR IMPARTING BIOACTIVE CHARACTER TO HYDROPHOBIC MEDICAL ARTICLE SURFACES BOSTON SCIENT LTD (BB) 2011-03-16 EP disclosed
WO-2010081114-A2 OLIGONUCLEOTIDE-COATED AFFINITY MEMBRANES AND USES THEREOF 20/20 GENESYSTEMS, INC. (US) 2010-07-15 WO disclosed
EP-0364980-B1 COLONY STIMULATING FACTOR-GELATIN CONJUGATE DENKI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1993-04-14 EP disclosed
EP-0506431-A1 Modified enzyme WAKO PURE CHEMICAL INDUSTRIES LTD (JP) 1992-09-30 EP disclosed
EP-0409117-A1 Silver halide photographic material KONICA CORPORATION (JP) 1991-01-23 EP disclosed
EP-0364980-A2 Colony stimulating factor-gelatin conjugate DENKI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1990-04-25 EP disclosed
EP-0346087-A2 Hybrid antibody and process for the production thereof SNOW BRAND MILK PRODUCTS CO., LTD. (JP) 1989-12-13 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-20110275077-A1 Oligonucleotide-Coated Affinity Membranes and Uses Thereof CD2BP2, CPSF6, CPSF1 CYP1A2 4873/4885CYP2D6 4793/4885SIGMAR1 4478/4885

“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.