SCHEMBL613704

SCHEMBL613704

C(=Cc1ccccc1)CN1CCCC1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.77
MAPK1 P28482 5/20 0.63
LMNA P02545 6/20 0.63
HIF1A Q16665 4/20 0.63
CYP2D6 P10635 4/20 0.63
CYP3A4 P08684 3/20 0.63
ALDH1A1 P00352 3/20 0.63
CYP1A2 P05177 3/20 0.63
CYP2C9 P11712 3/20 0.63
OPRM1 P35372 3/20 0.63
NPSR1 Q6W5P4 3/20 0.63
CHRM2 P08172 2/20 0.63
CHRM4 P08173 2/20 0.63
HTR1A P08908 2/20 0.63
CHRM5 P08912 2/20 0.63
ADRA2A P08913 2/20 0.63
ADORA3 P0DMS8 2/20 0.63
CHRM1 P11229 2/20 0.63
DRD2 P14416 2/20 0.63
ADRA2B P18089 2/20 0.63

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
SCHEMBL11036914 1.00 LTA4H (0.77) LTA4HMAPK1LMNAHIF1ACYP2D6
SCHEMBL18085064 0.98 LTA4H (0.75) LTA4HMAPK1LMNAHIF1ACYP2D6
SCHEMBL9371983 0.98 LTA4H (0.75) LTA4HMAPK1LMNAHIF1ACYP2D6
SCHEMBL2361183 0.98 LTA4H (0.75) LTA4HMAPK1LMNAHIF1ACYP2D6
Hydrochloric Acid SCHEMBL28578030 0.96 LTA4H (0.73) LTA4HMAPK1LMNAHIF1ACYP2D6
Hydrochloric Acid SCHEMBL7419298 0.96 LTA4H (0.73) LTA4HMAPK1LMNAHIF1ACYP2D6
SCHEMBL2579539 0.92 LMNA (0.72) LTA4HMAPK1LMNAHIF1ACYP2D6
Oxalic Acid SCHEMBL8813154 0.90 LTA4H (0.65) LTA4HMAPK1LMNAHIF1ACYP2D6
Oxalic Acid SCHEMBL8813161 0.90 LTA4H (0.65) LTA4HMAPK1LMNAHIF1ACYP2D6
SCHEMBL13940583 0.86 LTA4H (0.60) LTA4HMAPK1LMNAHIF1ACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0029617-B1 USE OF TERTIARY HETEROCYCLIC AMINES AS SYNERGISTS IN PESTICIDES; DERIVATIVES OF CYCLOAMINES C.F. Spiess & Sohn GmbH & Co. Chemische Fabrik (DE) 1984-09-12 EP claimed
EP-0029617-A1 Use of tertiary heterocyclic amines as synergists in pesticides; derivatives of cycloamines C.F. Spiess & Sohn GmbH & Co. Chemische Fabrik (DE) 1981-06-03 EP claimed
US-20150011698-A1 METHOD FOR PRODUCING CONJUGATED DIENE-BASED POLYMER, AND METHOD FOR PRODUCING CONJUGATED DIENE-BASED POLYMER COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-01-08 US disclosed
US-20150005440-A1 CONJUGATED DIENE POLYMER PRODUCTION METHOD, AND CONJUGATED DIENE POLYMER COMPOSITION PRODUCTION METHOD SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-01-01 US disclosed
US-8299179-B2 Conjugated diene-based polymer, conjugated diene-based polymer composition, and process for producing conjugated diene-based polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-30 US disclosed
US-20120041136-A1 CONJUGATED DIENE-BASED POLYMER, CONJUGATED DIENE-BASED POLYMER COMPOSITION, AND PROCESS FOR PRODUCING CONJUGATED DIENE-BASED POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-16 US disclosed
US-7222650-B2 Tire with a tread comprising a rubbery polymer of a functionalized monomer THE GOODYEAR TIRE & RUBBER COMPANY (US) 2007-05-29 US disclosed
US-7041761-B2 Functionalized monomers for synthesis of rubbery polymers THE GOODYEAR TIRE & RUBBER COMPANY (US) 2006-05-09 US disclosed
US-6995224-B2 Functionalized monomers for synthesis of rubbery polymers THE GOODYEAR TIRE & RUBBER COMPANY (US) 2006-02-07 US disclosed
US-6936669-B2 Functionalized monomers for synthesis of rubbery polymers THE GOODYEAR TIRE & RUBBER COMPANY (US) 2005-08-30 US disclosed
US-6933358-B2 Reacting secordary amine with 2,3-dihalopropene forming monomer THE GOODYEAR TIRE & RUBBER COMPANY (US) 2005-08-23 US disclosed
US-20040063884-A1 Functionalized monomers for synthesis of rubbery polymers THE GOODYEAR TIRE & RUBBER COMPANY 2004-04-01 US disclosed
WO-2004024684-A2 ENANTIOSELECTIVE AMINATION AND ETHERIFICATION YALE UNIVERSITY (US) 2004-03-25 WO disclosed
US-20040048972-A1 Functionalized monomers for synthesis of rubbery polymers GOODYEAR TIRE & RUBBER COMPANY, THE 2004-03-11 US disclosed
US-20040044157-A1 Functionalized monomers for synthesis of rubbery polymers GOODYEAR TIRE & RUBBER COMPANY, THE 2004-03-04 US disclosed
US-20040044202-A1 Functionalized monomers for synthesis of rubbery polymers THE GOODYEAR TIRE & RUBBER COMPANY 2004-03-04 US disclosed
US-6693160-B1 FREE RADICAL COPOLYMERS OF CONJUGATED DIOLEFIN AND NITROGEN HETEROCYCLE FUNCTIONALIZED MONOMERS; LOW HYSTERESIS; FILLER COMPATIBILITY THE GOODYEAR TIRE & RUBBER COMPANY 2004-02-17 US disclosed
US-6013656-A PSYCHOLOGICAL DISORDERS; GASTROINTESTINAL DISORDERS; NERVOUSSYSTEM DISORDERS WARNER-LAMBERT COMPANY (US) 2000-01-11 US disclosed
US-5849760-A 2-(arylalkenyl)azacycloalkane derivatives as ligands for sigma receptors INSTITUT DE RECHERCHE JOUVEINAL (FR) 1998-12-15 US disclosed
US-4315071-A Polystyryl amine polymeric binders for photographic emulsions POLAROID CORPORATION (US) 1982-02-09 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 (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-20040044202-A1 Functionalized monomers for synthesis of rubbery polymers PRMT1, DDR2, DNMT3A LTA4H 2157/4885MAPK1 1012/4885LMNA 1394/4885
US-20040063884-A1 Functionalized monomers for synthesis of rubbery polymers RDX, DPY30, RIF1 LTA4H 2816/4885MAPK1 987/4885LMNA 1036/4885

“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.