SCHEMBL3169161

SCHEMBL3169161

[CH2]CCc1ccccc1.[c]1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
ALOX12 P18054 1/20 0.42
CASP1 P29466 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TAAR1 Q96RJ0 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CYP2A6 P11509 1/20 0.41
HTR2A P28223 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
MAOA P21397 4/20 0.38
MAOB P27338 3/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
ATM Q13315 1/20 0.37
KEAP1 Q14145 1/20 0.37
NPC1 O15118 1/20 0.37

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
SCHEMBL28169091 0.87 SIGMAR1 (0.43) SMN1; SMN2HTR2AMAOAMAOBSIGMAR1
SCHEMBL470 0.85
SCHEMBL27610715 0.83 ALDH1A1 (0.52) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL22092377 0.83 ALDH1A1 (0.52) ALDH1A1HPGDALOX15ALOX12CASP1
Ethylene SCHEMBL28196223 0.83 ALDH1A1 (0.52) ALDH1A1HPGDALOX15ALOX12CASP1
Hydrochloric Acid SCHEMBL10398514 0.83 ALDH1A1 (0.52) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL6737980 0.81 CALM1 (0.39) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL9146773 0.80
SCHEMBL5537656 0.80 MAOB (0.56) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL28294218 0.79 ALDH1A1 (0.44) ALDH1A1HPGDALOX15ALOX12CASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0937040-B1 N-SUBSTITUTED 2-CYANOPYRROLIDINES NOVARTIS AG (CH) 2004-07-21 EP claimed
US-6730683-B2 Compounds of heteroaryl substituted imidazole, their pharmaceutical compositions and uses SMITHKLINE BEECHAM CORPORATION 2004-05-04 US claimed
US-6011155-A N-(substituted glycyl)-2-cyanopyrrolidines, pharmaceutical compositions containing them and their use in inhibiting dipeptidyl peptidase-IV NOVARTIS AG (CH) 2000-01-04 US claimed
EP-0937040-A2 N-SUBSTITUTED 2-CYANOPYRROLIDINES Novartis AG (CH) 1999-08-25 EP claimed
WO-1998019998-A2 N-SUBSTITUTED 2-CYANOPYRROLIDINES NOVARTIS AG (CH) 1998-05-14 WO claimed
CN-108697606-A Personal care composition and the method for using such composition 罗地亚经营管理公司 2018-10-23 CN disclosed
CN-106715483-B Ethene polymers and stretch forming thing and polyvinyl manufacture method obtained from being stretched 旭化成株式会社 2018-04-20 CN disclosed
CN-105229108-B Matrix polymer for hot-melt adhesive and hot-melt adhesive 出光兴产株式会社 2018-03-09 CN disclosed
CN-104781291-B Propylene polymer and hot-melt adhesive 出光兴产株式会社 2018-02-13 CN disclosed
CN-106715483-A Ethylene polymer, shaped object obtained by stretching same, and process for producing ethylene polymer 旭化成株式会社 2017-05-24 CN disclosed
CN-106661065-A Crystal of cyclic phosphonic acid sodium salt and method for producing same 大塚化学株式会社 2017-05-10 CN disclosed
US-20100210579-A1 PARTIAL AND FULL AGONISTS OF A1 ADENOSINE RECEPTORS GILEAD PALO ALTO, INC. (US) 2010-08-19 US disclosed
EP-0937040-B1 N-SUBSTITUTED 2-CYANOPYRROLIDINES NOVARTIS AG (CH) 2004-07-21 EP disclosed
US-6730683-B2 Compounds of heteroaryl substituted imidazole, their pharmaceutical compositions and uses SMITHKLINE BEECHAM CORPORATION 2004-05-04 US disclosed
WO-2003038123-A2 METHODS TO TREAT DIABETES AND RELATED CONDITIONS BASED ON POLYMORPHISMS IN THE TCF1 GENE NOVARTIS AG (CH) 2003-05-08 WO disclosed
US-6335340-B1 REACTING POLYMER BOUND 2-THIOPYRIMIDINE-4-YL IMINE WITH AN ISONITRILE; OXIDATION TO SULFONE OR SULFOXIDE TO RELEASE; AMINATION; ADMINISTERING AS CYTOKINE, INTERLEUKIN, AND TUMOR NECROSIS INHIBITORS SMITHKLINE BEECHAM CORPORATION 2002-01-01 US disclosed
US-6124305-A TREATING NON-INSULIN DEPENDENT DIABETES MELLITUS NOVARTIS AG (CH) 2000-09-26 US disclosed
US-6011155-A N-(substituted glycyl)-2-cyanopyrrolidines, pharmaceutical compositions containing them and their use in inhibiting dipeptidyl peptidase-IV NOVARTIS AG (CH) 2000-01-04 US disclosed
EP-0937040-A2 N-SUBSTITUTED 2-CYANOPYRROLIDINES Novartis AG (CH) 1999-08-25 EP disclosed
WO-1998019998-A2 N-SUBSTITUTED 2-CYANOPYRROLIDINES NOVARTIS AG (CH) 1998-05-14 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-20100210579-A1 PARTIAL AND FULL AGONISTS OF A1 ADENOSINE RECEPTORS ADORA1, ADORA2A, GPR119 ALDH1A1 358/4885HPGD 3085/4885ALOX15 340/4885

“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.