SCHEMBL5597945

SCHEMBL5597945

C=C(CN1CCCC1)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.50
CHRNB4 P30926 1/20 0.50
CHRNA3 P32297 1/20 0.50
CHRNA4 P43681 1/20 0.50
ALDH1A1 P00352 8/20 0.49
KMT2A Q03164 3/20 0.49
GFER P55789 2/20 0.47
NPC1 O15118 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.45
SLC6A3 Q01959 2/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
RAB9A P51151 2/20 0.44
MITF O75030 1/20 0.44
HTT P42858 1/20 0.44
PAX8 Q06710 1/20 0.44
ATM Q13315 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TP53 P04637 1/20 0.44

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
SCHEMBL9779048 0.98 CHRNB2 (0.53) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1
SCHEMBL1903553 0.82 ALDH1A1 (0.62) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1
SCHEMBL9779133 0.82 ALDH1A1 (0.54) ALDH1A1KMT2AMAPTRAB9AHTT
SCHEMBL9779110 0.81 ALDH1A1 (0.65) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1
SCHEMBL9381303 0.78 ALDH1A1 (0.69) ALDH1A1KMT2AGFERMAPTSLC6A3
SCHEMBL3928222 0.76 ALDH1A1 (0.69) ALDH1A1KMT2AGFERNPC1KDM4E
SCHEMBL13092866 0.76 HPGD (0.62) ALDH1A1KMT2AKDM4EMAPT
Hydrochloric Acid SCHEMBL9851658 0.75 ALDH1A1 (0.70) ALDH1A1KMT2AGFERNPC1KDM4E
SCHEMBL14380085 0.73 L3MBTL3 (0.39) ALDH1A1KMT2AKDM4E
SCHEMBL31093170 0.73 SLC6A4 (0.69) ALDH1A1KMT2AGFERMAPTSLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020227618-A2 CONVERGENT LIQUID PHASE SYNTHESES OF OLIGONUCLEOTIDES BIOGEN MA INC. (US) 2020-11-12 WO 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-20050131181-A1 FUNCTIONALIZED MONOMERS FOR SYNTHESIS OF RUBBERY POLYMERS THE GOODYEAR TIRE & RUBBER COMPANY 2005-06-16 US disclosed
US-6901982-B2 Functionalized monomers for synthesis of rubbery polymers THE GOODYEAR TIRE & RUBBER COMPANY (US) 2005-06-07 US disclosed
US-20050049377-A1 Functionalized monomers for synthesis of rubbery polymers THE GOODYEAR TIRE & RUBBER COMPANY 2005-03-03 US disclosed
US-20050006014-A1 Functionalized monomers for synthesis of rubbery polymers THE GOODYEAR TIRE & RUBBER COMPANY 2005-01-13 US disclosed
US-6812307-B2 FORMING FILLER COMPATIBLE MATERIALS; SOLUTION COPOLYMERIZING AT LEAST CONJUGATED DIOLEFIN AND AMINE FUNCTIONALIZED STYRENE MONOMER THE GOODYEAR TIRE & RUBBER COMPANY 2004-11-02 US disclosed
US-20040122194-A1 Functionalized monomers for synthesis of rubbery polymers THE GOODYEAR TIRE & RUBBER COMPANY 2004-06-24 US disclosed
US-20040122224-A1 Functionalized monomers for synthesis of rubbery polymers THE GOODYEAR TIRE & RUBBER COMPANY 2004-06-24 US disclosed
US-6753447-B2 REACTING SECONDARY AMINE WITH 2,3- DIHALOPROPENE TO PRODUCE A VINYL HALIDE CONTAINING CYCLIC TERTIARY AMINE; REACTING WITH VINYL MAGNESIUM HALIDE IN POLAR SOLVENT THE GOODYEAR TIRE & RUBBER COMPANY 2004-06-22 US disclosed
US-20040116635-A1 Functionalized monomers for synthesis of rubbery polymers GOODYEAR TIRE & RUBBER COMPANY, THE 2004-06-17 US disclosed
US-20040063884-A1 Functionalized monomers for synthesis of rubbery polymers THE GOODYEAR TIRE & RUBBER COMPANY 2004-04-01 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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 CHRNB2 2334/4885CHRNB4 3245/4885CHRNA3 1911/4885
US-20050006014-A1 Functionalized monomers for synthesis of rubbery polymers RDX, DPY30, COIL CHRNB2 3384/4885CHRNB4 2561/4885CHRNA3 2999/4885
US-20040063884-A1 Functionalized monomers for synthesis of rubbery polymers RDX, DPY30, RIF1 CHRNB2 3060/4885CHRNB4 2545/4885CHRNA3 2861/4885
US-20040122224-A1 Functionalized monomers for synthesis of rubbery polymers PRMT1, DDR2, DNMT3A CHRNB2 2334/4885CHRNB4 3245/4885CHRNA3 1911/4885

“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.