SCHEMBL5331013

SCHEMBL5331013

CC1(C)CCc2ccccc2N1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
NPC1 O15118 2/20 0.44
MAPK13 O15264 1/20 0.44
MAPK12 P53778 1/20 0.44
MAPK11 Q15759 1/20 0.44
MAPK14 Q16539 1/20 0.44
AR P10275 10/20 0.42
PGR P06401 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
KDM4E B2RXH2 2/20 0.39
GAA P10253 1/20 0.39
NR3C2 P08235 1/20 0.38
ALDH1A1 P00352 1/20 0.37
AHR P35869 1/20 0.36
PDK2 Q15119 1/20 0.36
HSP90AA1 P07900 1/20 0.36
THRB P10828 1/20 0.36
HK1 P19367 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL29789709 1.00 MAPT (0.46) MAPTNPC1MAPK13MAPK12MAPK11
SCHEMBL10740353 0.88 LMNA (0.40) MAPTNPC1MAPK13MAPK12MAPK11
SCHEMBL13774368 0.80 NPC1 (0.46) MAPTNPC1MAPK13MAPK12MAPK11
SCHEMBL1119036 0.78 GAA (0.46) MAPTNPC1MAPK13MAPK12MAPK11
SCHEMBL26613465 0.77 MAPT (0.44) MAPTNPC1MAPK13MAPK12MAPK11
SCHEMBL29746397 0.77 MAPT (0.44) MAPTNPC1MAPK13MAPK12MAPK11
SCHEMBL6196357 0.76 NPC1 (0.38) MAPTNPC1MAPK13MAPK12MAPK11
SCHEMBL6195582 0.76 NPC1 (0.38) MAPTNPC1MAPK13MAPK12MAPK11
SCHEMBL7156725 0.75 NPSR1 (0.44) MAPTNPC1MAPK13MAPK12MAPK11
SCHEMBL16158285 0.75 AR (0.43) MAPTARPGRKDM4ENR3C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0604846-B1 Components and catalysts for the polymerization of olefins MONTELL TECHNOLOGY COMPANY BV (NL) 1997-10-29 EP claimed
EP-0604846-A2 Components and catalysts for the polymerization of olefins Montell Technology Company bv (NL) 1994-07-06 EP claimed
EP-0155682-B1 CATALYSTS FOR HOMO- AND COPOLYMERIZATION OF ETHYLENE AND THE POLYMERS OBTAINED BY USE THEREOF AUSIMONT S.r.l. (IT) 1989-11-29 EP claimed
EP-0155682-A2 Catalysts for homo- and copolymerization of ethylene and the polymers obtained by use thereof AUSIMONT S.r.l. (IT) 1985-09-25 EP claimed
US-20230350294-A1 Negative Photosensitive Resin Composition, Patterning Process, Interlayer Insulating Film, Surface Protection Film, And Electronic Component SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-11-02 US disclosed
US-11768434-B2 Polymer having a structure of polyamide, polyamide-imide, or polyimide, photosensitive resin composition, patterning process, photosensitive dry film, and protective film for electric and electronic parts SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-09-26 US disclosed
US-20220380314-A1 SUBSTITUTED, SATURATED AND UNSATURATED N-HETEROCYCLIC CARBOXAMIDES AND RELATED COMPOUNDS FOR THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL R&D INVEST S A (PT) 2022-12-01 US disclosed
US-20220380314-A1 SUBSTITUTED, SATURATED AND UNSATURATED N-HETEROCYCLIC CARBOXAMIDES AND RELATED COMPOUNDS FOR THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL R&D INVEST S A (PT) 2022-12-01 US disclosed
CN-114901652-A Substituted saturated and unsaturated N-heterocyclic carboxamides and related compounds for the treatment of medical disorders 比亚尔R&D投资股份公司 2022-08-12 CN disclosed
EP-4031540-A1 SUBSTITUTED, SATURATED AND UNSATURATED N-HETEROCYCLIC CARBOXAMIDES AND RELATED COMPOUNDS FOR THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS Bial-R&D Investments, S.A. (PT) 2022-07-27 EP disclosed
WO-2021055630-A1 SUBSTITUTED, SATURATED AND UNSATURATED N-HETEROCYCLIC CARBOXAMIDES AND RELATED COMPOUNDS FOR THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL- BIOTECH INVESTMENTS, INC. (US) 2021-03-25 WO disclosed
WO-2021055630-A1 SUBSTITUTED, SATURATED AND UNSATURATED N-HETEROCYCLIC CARBOXAMIDES AND RELATED COMPOUNDS FOR THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL- BIOTECH INVESTMENTS, INC. (US) 2021-03-25 WO disclosed
CN-1194978-A Benzyloxy-substituted, fused N heterocycles, process for their preparation and their use as bradykinin receptor antagonists HOECHST AG (DE) 1998-10-07 CN disclosed
WO-1998025875-A1 ARYL OR HETEROARYL SUBSTITUTED 3,4-DIHYDROANTHRACENE AND ARYL OR HETEROARYL SUBSTITUTED BENZO[1,2-g]-CHROM-3-ENE, BENZO[1,2-g]-THIOCHROM-3-ENE AND BENZO[1,2-g]-1,2-DIHYDROQUINOLINE DERIVATIVES HAVING RETINOID ANTAGONIST OR RETINOID INVERSE AGONIST TYPE BIOLOGICAL ACTIVITY ALLERGAN SALES, INC. (US) 1998-06-18 WO disclosed
US-5728846-A RETENOIDS, RETINOID ACTIVITY; AGONISTS, ANTAGONISTS ALLERGAN (US) 1998-03-17 US disclosed
WO-1997049709-A1 ANDROGEN RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS INCORPORATED (US) 1997-12-31 WO disclosed
US-5164400-A Enzyme inhibitors, anticholesterol, antilipemic FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-11-17 US disclosed
CN-1049663-A PYRROLOQUINOLINE COMPOUNDS FUJISAWA PHARMACEUTICAL CO (JP) 1991-03-06 CN disclosed
EP-0414023-A2 Pyrroloquinoline compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-02-27 EP disclosed
EP-0198264-A2 Carbamoyl imidazoles NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1986-10-22 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-20220380314-A1 SUBSTITUTED, SATURATED AND UNSATURATED N-HETEROCYCLIC CARBOXAMIDES AND RELATED COMPOUNDS FOR THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS GBA1, GBA2, CLN6 MAPT 1213/4885NPC1 20/4885MAPK13 3725/4885

“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.