SCHEMBL10032113

SCHEMBL10032113

CC1CCN(CCC(C)(C)C)CC1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 1/20 0.52
PRMT6 Q96LA8 1/20 0.52
PRMT1 Q99873 1/20 0.52
PRMT8 Q9NR22 1/20 0.52
POLB P06746 1/20 0.47
HTT P42858 1/20 0.47
KCNA3 P22001 1/20 0.46
SIGMAR1 Q99720 4/20 0.45
HRH3 Q9Y5N1 5/20 0.44
ACHE P22303 3/20 0.44
MAOB P27338 1/20 0.40
KCNH2 Q12809 2/20 0.39
CACNA1I Q9P0X4 2/20 0.39

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
SCHEMBL13683459 0.87 CARM1 (0.39) CARM1PRMT6PRMT1PRMT8POLB
SCHEMBL12245557 0.87 SIGMAR1 (0.50) CARM1PRMT6PRMT1PRMT8POLB
SCHEMBL10130266 0.87 CARM1 (0.39) CARM1PRMT6PRMT1PRMT8POLB
SCHEMBL17307156 0.87 CARM1 (0.39) CARM1PRMT6PRMT1PRMT8POLB
SCHEMBL13602668 0.85 SIGMAR1 (0.49) CARM1PRMT6PRMT1PRMT8SIGMAR1
SCHEMBL19200880 0.83 CARM1 (0.48) CARM1PRMT6PRMT1PRMT8POLB
SCHEMBL16247250 0.82 CACNA1I (0.40) KCNH2CACNA1I
SCHEMBL19200875 0.81 CARM1 (0.47) CARM1PRMT6PRMT1PRMT8POLB
SCHEMBL23919061 0.80 CACNA1I (0.44) KCNH2CACNA1I
SCHEMBL10032110 0.80 KCNA3 (0.45) KCNA3KCNH2CACNA1I

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11207298-B2 Substituted 1H-imidazo[4,5-b]pyridin-2(3H)-ones and their use as GLUN2B receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2021-12-28 US disclosed
US-20210094919-A1 KRAS MUTANT PROTEIN INHIBITORS JACOBIO PHARMACEUTICALS CO., LTD. 2021-04-01 US disclosed
US-10766865-B2 PKM2 modulators and methods for their use SUMITOMO DAINIPPON PHARMA ONCOLOGY, INC. (US) 2020-09-08 US disclosed
US-20200237766-A1 PKM2 ACTIVATORS IN COMBINATION WITH REACTIVE OXYGEN SPECIES FOR TREATMENT OF CANCER SUMITOMO PHARMA ONCOLOGY, INC. 2020-07-30 US disclosed
US-10472328-B2 PKM2 modulators and methods for their use TOLERO PHARMACEUTICALS, INC. (US) 2019-11-12 US disclosed
US-20190233441-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2019-08-01 US disclosed
US-20190119219-A1 PKM2 MODULATORS AND METHODS FOR THEIR USE SUMITOMO PHARMA ONCOLOGY, INC. 2019-04-25 US disclosed
US-10207996-B2 PKM2 modulators and methods for their use TOLERO PHARMACEUTICALS, INC. (US) 2019-02-19 US disclosed
US-20180086757-A1 TRIAZOLOPYRIDINE COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-03-29 US disclosed
US-20180086757-A1 TRIAZOLOPYRIDINE COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-03-29 US disclosed
US-20110178066-A1 Hydroxypiperidine derivatives and uses thereof AVALON PHARMACEUTICALS 2011-07-21 US disclosed
US-20100249111-A1 MULTI-RING COMPOUNDS AND USES THEREOF AVALON PHARMACEUTICALS (US) 2010-09-30 US disclosed
US-7605176-B2 β-ketoamide compounds with MCH antagonistic activity BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-20 US disclosed
US-7605176-B2 β-ketoamide compounds with MCH antagonistic activity BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-20 US disclosed
US-7592373-B2 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-22 US disclosed
US-20090233900-A1 2-AMINOBENZAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-09-17 US disclosed
US-20090233900-A1 2-AMINOBENZAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-09-17 US disclosed
US-20090036429-A1 Hydroxypiperidine Derivatives and Uses Thereof AVALON PHARMACEUTICALS 2009-02-05 US disclosed
US-20090036429-A1 Hydroxypiperidine Derivatives and Uses Thereof AVALON PHARMACEUTICALS 2009-02-05 US disclosed
US-20070111981-A1 New (hetero)aryl compounds with MCH antagonistic activity and medicaments comprising these compounds ROTH GERALD J 2007-05-17 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 (14 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-20070111981-A1 New (hetero)aryl compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, GPR119, MCHR2 CARM1 736/4885PRMT6 218/4885PRMT1 225/4885
US-11207298-B2 Substituted 1H-imidazo[4,5-b]pyridin-2(3H)-ones and their use as GLUN2B receptor modulators GRIN2B, GRIN2A, GRIN2C CARM1 2045/4885PRMT6 2710/4885PRMT1 2028/4885
US-10766865-B2 PKM2 modulators and methods for their use PDK1, PDK2, PKM CARM1 224/4885PRMT6 162/4885PRMT1 122/4885
US-20090233900-A1 2-AMINOBENZAMIDE DERIVATIVE TRPV1, TRPV2, TRPV5 CARM1 3036/4885PRMT6 3926/4885PRMT1 2381/4885
US-20100249111-A1 MULTI-RING COMPOUNDS AND USES THEREOF TP53, BCOR, HPGDS CARM1 932/4885PRMT6 2792/4885PRMT1 3423/4885
US-20190233441-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 CARM1 3887/4885PRMT6 1456/4885PRMT1 1280/4885
US-10472328-B2 PKM2 modulators and methods for their use PDK1, PDK2, PKM CARM1 224/4885PRMT6 162/4885PRMT1 122/4885
US-20180086757-A1 TRIAZOLOPYRIDINE COMPOUNDS AND METHODS OF USE THEREOF JAK1, JAK2, JAK3 CARM1 1348/4885PRMT6 1525/4885PRMT1 397/4885
US-10207996-B2 PKM2 modulators and methods for their use PDK1, PDK2, PKM CARM1 224/4885PRMT6 162/4885PRMT1 122/4885
US-20200237766-A1 PKM2 ACTIVATORS IN COMBINATION WITH REACTIVE OXYGEN SPECIES FOR TREATMENT OF CANCER PDK1, PDK2, PCK2 CARM1 611/4885PRMT6 487/4885PRMT1 647/4885
US-20190119219-A1 PKM2 MODULATORS AND METHODS FOR THEIR USE PDK1, PDK2, PKM CARM1 224/4885PRMT6 162/4885PRMT1 122/4885
US-20110178066-A1 Hydroxypiperidine derivatives and uses thereof HPGDS, HPGD, DPYD CARM1 2204/4885PRMT6 2790/4885PRMT1 2864/4885
US-20210094919-A1 KRAS MUTANT PROTEIN INHIBITORS KRAS, NRAS, APC CARM1 2379/4885PRMT6 1205/4885PRMT1 976/4885
US-20090036429-A1 Hydroxypiperidine Derivatives and Uses Thereof HPGDS, HPGD, DPYD CARM1 2204/4885PRMT6 2790/4885PRMT1 2864/4885

“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.