SCHEMBL2901648

SCHEMBL2901648

CCNC1CCCC(N)C1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.38
KDM1A O60341 1/20 0.38
PIM1 P11309 1/20 0.33
S1PR4 O95977 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
S1PR5 Q9H228 1/20 0.33
ROCK1 Q13464 1/20 0.32
BRD4 O60885 1/20 0.31
ATAD2 Q6PL18 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
SCHEMBL20320827 1.00 KCNH2 (0.38) KCNH2KDM1APIM1S1PR4S1PR1
SCHEMBL20321058 1.00 KCNH2 (0.38) KCNH2KDM1APIM1S1PR4S1PR1
SCHEMBL17778093 0.86
SCHEMBL17778084 0.86
SCHEMBL2631794 0.86
SCHEMBL7058167 0.84 KCNH2 (0.44) KCNH2S1PR4S1PR1S1PR3S1PR5
SCHEMBL44192 0.83 DRD3 (0.41) KDM1APIM1S1PR4S1PR1S1PR3
SCHEMBL21799533 0.80 KDM4E (0.34) KDM1APIM1
SCHEMBL21799555 0.80 S1PR4 (0.49) KDM1AS1PR4S1PR1S1PR3S1PR5
Cyclohexylamine SCHEMBL6866614 0.80 KDM4E (0.40) KCNH2

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3623398-B1 RESIN COMPOSITION COMPRISING A MODIFIED BLOCK COPOLYMER AND METHOD FOR PRODUCING MODIFIED BLOCK COPOLYMER ASAHI CHEMICAL IND (JP) 2024-08-28 EP disclosed
US-20230303489-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USE AQUINNAH PHARMACEUTICALS INC (US) 2023-09-28 US disclosed
US-11542233-B2 Compounds, compositions and methods of use AQUINNAH PHARMACEUTICALS, INC. (US) 2023-01-03 US disclosed
CN-110603273-B Modified block copolymer, method for producing modified block copolymer, and resin composition 旭化成株式会社 2022-10-14 CN disclosed
WO-2022140428-A2 INHIBITORS OF PEPTIDYLARGININE DEIMINASES GILEAD SCIENCES, INC. (US) 2022-06-30 WO disclosed
US-11124593-B2 Modified block copolymer, method for producing modified block copolymer, and resin composition ASAHI KASEI KABUSHIKI KAISHA (JP) 2021-09-21 US disclosed
US-20200270211-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USE AQUINNAH PHARMACEUTICALS INC (US) 2020-08-27 US disclosed
US-20200199282-A1 Modified Block Copolymer, Method for Producing Modified Block Copolymer, and Resin Composition ASAHI KASEI KABUSHIKI KAISHA (JP) 2020-06-25 US disclosed
EP-3623398-A1 MODIFIED BLOCK COPOLYMER, METHOD FOR PRODUCING MODIFIED BLOCK COPOLYMER, AND RESIN COMPOSITION Asahi Kasei Kabushiki Kaisha (JP) 2020-03-18 EP disclosed
CN-110603273-A Modified block copolymer, method for producing modified block copolymer, and resin composition 旭化成株式会社 2019-12-20 CN disclosed
US-8269046-B2 Cyclic bisamides useful in formulating inks for phase-change printing ARIZONA CHEMICAL COMPANY, LLC (US) 2012-09-18 US disclosed
US-20110015173-A1 PYRROLOPYRIDINE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2011-01-20 US disclosed
EP-1631633-B1 CYCLIC BISAMIDES USEFUL IN FORMULATING INKS FOR PHASE-CHANGE PRINTING ARIZONA CHEM (US) 2010-08-11 EP disclosed
US-20100064933-A1 Cyclic Bisamides Useful in Formulating Inks for Phase-Change Printing ARIZONA CHEMICAL COMPANY LLC 2010-03-18 US disclosed
US-7557110-B2 MAPKAP-K2; inflammatory disease, autoimmune disease, destructive bone disorder, cancer and/or tumour growth; 5-[(trans-4-aminocyclohexyl)amino]-3-fluoro-6-methyl(pyrazolo[1,5-a]pyri- midin-7-yl)}(4-iodophenyl)amine TEIJIN PHARMA LIMITED (JP) 2009-07-07 US disclosed
US-20060128992-A1 Cyclic bisamides useful in formulating inks for phase-change printing ARIZONA CHEMICAL COMPANY 2006-06-15 US disclosed
EP-1631633-A2 CYCLIC BISAMIDES USEFUL IN FORMULATING INKS FOR PHASE-CHANGE PRINTING Arizona Chemical Company (US) 2006-03-08 EP disclosed
WO-2004106442-A2 CYCLIC BISAMIDES USEFUL IN FORMULATING INKS FOR PHASE-CHANGE PRINTING ARIZONA CHEMICAL COMPANY (US) 2004-12-09 WO 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

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

For each of this compound's patents that has machine-readable text (5 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-11542233-B2 Compounds, compositions and methods of use FUS, TFEB, CLN6 KCNH2 4883/4885KDM1A 4612/4885PIM1 3250/4885
US-20200270211-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USE FUS, TFEB, CLN6 KCNH2 4883/4885KDM1A 4612/4885PIM1 3250/4885
US-20230303489-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USE FUS, TFEB, CLN6 KCNH2 4883/4885KDM1A 4612/4885PIM1 3250/4885
US-20110015173-A1 PYRROLOPYRIDINE INHIBITORS OF KINASES CDC7, MAP3K7, CDK1 KCNH2 1394/4885KDM1A 807/4885PIM1 465/4885
US-20060128992-A1 Cyclic bisamides useful in formulating inks for phase-change printing FHIT, DDC, MNAT1 KCNH2 3019/4885KDM1A 476/4885PIM1 1334/4885

“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.