SCHEMBL2603236

SCHEMBL2603236

CC(C)C1CCN(C(=O)C(C)(C)O)CC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.39
HRH3 Q9Y5N1 2/20 0.39
CYP2D6 P10635 1/20 0.39
KCNH2 Q12809 1/20 0.39
FASN P49327 1/20 0.38
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
DPP4 P27487 2/20 0.35
TLR9 Q9NR96 1/20 0.34
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
CPN1 P15169 1/20 0.33
CPB2 Q96IY4 1/20 0.33
LMNA P02545 1/20 0.33
HCRTR2 O43614 1/20 0.33
EPHX2 P34913 1/20 0.33

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
SCHEMBL2603238 0.88 DPP4 (0.44) HRH3CYP2D6KCNH2MEN1ALDH1A1
SCHEMBL24023812 0.87 HRH3 (0.36) NAMPTHRH3CYP2D6KCNH2MEN1
SCHEMBL15837594 0.85 DPP4 (0.44) HRH3CYP2D6KCNH2MEN1ALDH1A1
SCHEMBL25581268 0.83 RIPK1 (0.42) HRH3CYP2D6KCNH2MEN1ALDH1A1
SCHEMBL12957894 0.82 EPHX1 (0.42) HRH3CYP2D6KCNH2MEN1ALDH1A1
SCHEMBL22874749 0.82 HRH3 (0.35) HRH3CYP2D6KCNH2DPP4
SCHEMBL26227969 0.82 SCD (0.36) HRH3CYP2D6KCNH2DPP4
SCHEMBL17540502 0.82 HRH3 (0.35) HRH3CYP2D6KCNH2MEN1ALDH1A1
SCHEMBL23776804 0.82 HRH3 (0.37) HRH3CYP2D6KCNH2MEN1ALDH1A1
SCHEMBL12384646 0.80 DPP4 (0.40) HRH3CYP2D6KCNH2MEN1ALDH1A1

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
US-12030870-B2 Benzamides of pyrazolylamino-pyrimidinyl derivatives, and compositions and methods thereof LYNK PHARMACEUTICALS CO. LTD. (CN) 2024-07-09 US disclosed
US-12030870-B2 Benzamides of pyrazolylamino-pyrimidinyl derivatives, and compositions and methods thereof LYNK PHARMACEUTICALS CO. LTD. (CN) 2024-07-09 US disclosed
US-20240025882-A1 BENZAMIDES OF PYRAZOLYLAMINO- PYRIMIDINYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF LYNK PHARMACEUTICALS CO. LTD. (CN) 2024-01-25 US disclosed
US-20240025882-A1 BENZAMIDES OF PYRAZOLYLAMINO- PYRIMIDINYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF LYNK PHARMACEUTICALS CO. LTD. (CN) 2024-01-25 US disclosed
US-20230339937-A1 CONDENSED RING COMPOUNDS THAT INHIBIT H-PGDS SATO PHARMACEUTICAL CO., LTD. (JP) 2023-10-26 US disclosed
US-20230339937-A1 CONDENSED RING COMPOUNDS THAT INHIBIT H-PGDS SATO PHARMACEUTICAL CO., LTD. (JP) 2023-10-26 US disclosed
US-11753397-B2 Cereblon binders for the degradation of ikaros C4 THERAPEUTICS, INC. (US) 2023-09-12 US disclosed
US-11753397-B2 Cereblon binders for the degradation of ikaros C4 THERAPEUTICS, INC. (US) 2023-09-12 US disclosed
US-20230167131-A1 HETEROCYCLIC PAD4 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2023-06-01 US disclosed
US-20230002362-A1 BENZAMIDES OF PYRAZOLYLAMINO- PYRIMIDINYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF LYNK PHARMACEUTICALS CO. LTD. (CN) 2023-01-05 US disclosed
US-20140179670-A1 URACIL DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2014-06-26 US disclosed
US-20140045812-A1 5-CYANO-4- (PYRROLO [2,3B] PYRIDINE-3-YL) -PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2014-02-13 US disclosed
US-8530489-B2 5-cyano-4-(pyrrolo [2,3B] pyridine-3-yl)-pyrimidine derivatives useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-10 US disclosed
WO-2013018804-A1 URACIL DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES 大日本住友製薬株式会社 (JP) 2013-02-07 WO disclosed
US-8362008-B2 Amido-thiophene compounds and their use as 11-beta-HSD1 inhibitors THE UNIVERSITY OF EDINBURGH (GB) 2013-01-29 US disclosed
US-8293736-B2 Purine compounds selective for PI3K P110 delta, and methods of use F. HOFFMANN LA ROCHE AG (CH) 2012-10-23 US disclosed
US-20120095046-A1 Amido-Isothiazole Compounds and Their Use as Inhibitors of 11Beta-HSD1 for the Treatment of Metabolic Syndrome and Related Disorders THE UNIVERSITY OF EDINBURGH (GB) 2012-04-19 US disclosed
US-20120095046-A1 Amido-Isothiazole Compounds and Their Use as Inhibitors of 11Beta-HSD1 for the Treatment of Metabolic Syndrome and Related Disorders THE UNIVERSITY OF EDINBURGH (GB) 2012-04-19 US disclosed
US-20120015931-A1 PURINE COMPOUNDS SELECTIVE FOR PI3K P110 DELTA, AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 US disclosed
US-20100267696-A1 Amido-Thiophene Compounds and Their Use as 11-Beta-HSD1 Inhibitors THE UNIVERSITY OF EDINBURGH 2010-10-21 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 (11 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-20120095046-A1 Amido-Isothiazole Compounds and Their Use as Inhibitors of 11Beta-HSD1 for the Treatment of Metabolic Syndrome and Related Disorders HSD11B1, HSD11B2, HSD3B1 NAMPT 1683/4885HRH3 3373/4885CYP2D6 955/4885
US-20140045812-A1 5-CYANO-4- (PYRROLO [2,3B] PYRIDINE-3-YL) -PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS MAP3K5, CDK5, MAP4K2 NAMPT 798/4885HRH3 3383/4885CYP2D6 2558/4885
US-11753397-B2 Cereblon binders for the degradation of ikaros CRBN, IKZF1, IKZF3 NAMPT 4690/4885HRH3 4527/4885CYP2D6 4691/4885
US-12030870-B2 Benzamides of pyrazolylamino-pyrimidinyl derivatives, and compositions and methods thereof JAK2, JAK1, JAK3 NAMPT 354/4885HRH3 910/4885CYP2D6 1105/4885
US-20100267696-A1 Amido-Thiophene Compounds and Their Use as 11-Beta-HSD1 Inhibitors HSD11B1, HSD11B2, HSD17B1 NAMPT 1486/4885HRH3 3378/4885CYP2D6 437/4885
US-20230339937-A1 CONDENSED RING COMPOUNDS THAT INHIBIT H-PGDS HPGDS, PTGS1, PTGIS NAMPT 1694/4885HRH3 78/4885CYP2D6 223/4885
US-20230002362-A1 BENZAMIDES OF PYRAZOLYLAMINO- PYRIMIDINYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF JAK1, JAK3, JAK2 NAMPT 268/4885HRH3 413/4885CYP2D6 1004/4885
US-20120015931-A1 PURINE COMPOUNDS SELECTIVE FOR PI3K P110 DELTA, AND METHODS OF USE PIK3CA, PIK3CD, PIK3CG NAMPT 382/4885HRH3 1331/4885CYP2D6 2542/4885
US-20230167131-A1 HETEROCYCLIC PAD4 INHIBITORS PADI4, PADI2, PADI6 NAMPT 811/4885HRH3 1991/4885CYP2D6 460/4885
US-20240025882-A1 BENZAMIDES OF PYRAZOLYLAMINO- PYRIMIDINYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF JAK2, JAK1, JAK3 NAMPT 354/4885HRH3 910/4885CYP2D6 1105/4885
US-20140179670-A1 URACIL DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES URB2, ELANE, NUDT1 NAMPT 513/4885HRH3 51/4885CYP2D6 704/4885

“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.