SCHEMBL1763134

SCHEMBL1763134

C=CC(N)c1ccccc1N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.39
ALOX15 P16050 2/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 5/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
TSHR P16473 4/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
MAPT P10636 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
NPC1 O15118 1/20 0.31
GAA P10253 1/20 0.31
RAB9A P51151 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31

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
SCHEMBL666673 0.85 DPP4 (0.33) ALDH1A1TSHR
SCHEMBL11500824 0.81 CYP3A4 (0.31) CYP3A4ALDH1A1TSHRTDP1HSD17B10
SCHEMBL2357790 0.79 CYP3A4 (0.41) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
SCHEMBL5656918 0.79 MEN1 (0.32) CYP3A4ALOX15SMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL10755182 0.77
SCHEMBL11388664 0.77
SCHEMBL1534111 0.76 TAAR1 (0.30)
SCHEMBL8035650 0.76
SCHEMBL16085820 0.76 ESR1 (0.45) CYP3A4ALDH1A1TSHRGAATDP1
SCHEMBL89098 0.76 GABRA1 (0.46) CYP3A4ALOX15SMN1; SMN2ALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6727269-B1 ACROMEGALY, PITUITARY ADENOMA OR ENDOCRINE GASTROENTEROPANCEATIC TUMORS INCLUDING THE CARCINOID SYNDROME, AND GASTROINTESTINAL BLEEDING SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2004-04-27 US claimed
EP-0394058-B1 ALICYCLIC DIAMINES, ALICYCLIC DIISOCYANATES AND POLYISOCYANATO-ISOCYANURATES AND METHOD FOR THE PREPARATION THEREOF MITSUI TOATSU CHEMICALS, Inc. (JP) 1993-08-25 EP claimed
US-5210286-A Hydrogenation of corresponding aromatic compound, reaction with phosgene MITSUI TOATSU CHEMICALS, INC. (JP) 1993-05-11 US claimed
US-5126426-A Catalytic hydrogenation of aromatic diamine MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1992-06-30 US claimed
EP-0394058-A1 Alicyclic diamines, alicyclic diisocyanates and polyisocyanato-isocyanurates and method for the preparation thereof MITSUI TOATSU CHEMICALS, Inc. (JP) 1990-10-24 EP claimed
JP-6016629-A None JP disclosed
JP-5255481-A None JP disclosed
JP-3056450-A None JP disclosed
JP-5208939-A None JP disclosed
JP-3200748-A None JP disclosed
US-8586794-B2 5-isopropyl-3-aminomethyl-2-methyl-1-amino-cyclohexane (carvone diamine), and method for the production thereof BASF SE (DE) 2013-11-19 US disclosed
US-20110124919-A1 3-AMINOMETHYL-1-CYCLOHEXYLAMINE, AND METHOD FOR THE PRODUCTION THEREOF BASF SE (DE) 2011-05-26 US disclosed
JP-H0356450-A ALKYLDIAMINES AND PRODUCTION THEREOF MITSUI TOATSU CHEM INC 1991-03-12 JP disclosed
EP-0394058-A1 Alicyclic diamines, alicyclic diisocyanates and polyisocyanato-isocyanurates and method for the preparation thereof MITSUI TOATSU CHEMICALS, Inc. (JP) 1990-10-24 EP disclosed
EP-0090972-B1 INDAZOLE DERIVATIVES Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1990-05-30 EP disclosed
US-4751302-A ANTIINFLAMMATORY, ANTIULCER AGENTS, ANALGESICS ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1988-06-14 US disclosed
US-4533731-A ANTIINFLAMMATORY AGENTS ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1985-08-06 US disclosed
EP-0090972-A2 Indazole derivatives Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1983-10-12 EP disclosed
US-4217272-A DYEING CELLULOSIC FIBERS STERLING DRUG INC. (US) 1980-08-12 US disclosed
US-4153598-A Monoazo and diazo colorants from aminoalkylanilines and bis(aminoalkyl)anilines STERLING DRUG INC. (US) 1979-05-08 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-20110124919-A1 3-AMINOMETHYL-1-CYCLOHEXYLAMINE, AND METHOD FOR THE PRODUCTION THEREOF PNMT, CBR3, ALKBH3 CYP3A4 332/4885ALOX15 3257/4885CASP1 2433/4885

“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.