SCHEMBL3594497

SCHEMBL3594497

CC(C)C(=O)NCCN1CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.54
CA1 P00915 3/20 0.54
CA2 P00918 3/20 0.54
CA9 Q16790 3/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.53
PKM P14618 1/20 0.52
ALDH1A1 P00352 2/20 0.51
KDM4E B2RXH2 2/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
POLB P06746 1/20 0.51
CYP2C19 P33261 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
RAD52 P43351 1/20 0.47

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
SCHEMBL9911466 0.98 RAB9A (0.54) CA12CA1CA2CA9NPC1
SCHEMBL18347983 0.94 RAB9A (0.50) CA12CA1CA2CA9NPC1
SCHEMBL13115892 0.89 RAD52 (0.55) ALDH1A1SMN1; SMN2RAD52
SCHEMBL18028204 0.89 RAD52 (0.55) ALDH1A1SMN1; SMN2RAD52
SCHEMBL13202809 0.88 RAD52 (0.61) ALDH1A1KDM4ESMN1; SMN2RAD52
SCHEMBL12017899 0.87 SMN1; SMN2 (0.56) ALDH1A1KDM4ESMN1; SMN2RAD52
SCHEMBL14521448 0.86 DRD2 (0.59) ALDH1A1KDM4ESMN1; SMN2RAD52
SCHEMBL30392344 0.86 CA12 (0.51) CA12CA1CA2CA9NPC1
SCHEMBL4100480 0.85 CYP2C19 (0.51) RAB9AALDH1A1MEN1KMT2APOLB
SCHEMBL9497830 0.85 RAB9A (0.53) CA12CA1CA2CA9NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239774-A1 SOLUBLE ADENYLYL CYCLASE (SAC) INHIBITORS AND USES THEREOF CORNELL UNIVERSITY (US) 2024-07-18 US disclosed
US-20240025922-A1 TETRAHYDROPYRIDO[3,4-d]PYRIMIDINES AS HPK1 INHIBITORS MERCK HEALTHCARE KGAA (DE) 2024-01-25 US disclosed
US-11826365-B2 Type II raf kinase inhibitors DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-11-28 US disclosed
US-11820751-B2 Urolithin derivatives and methods of use thereof VANDRIA SA (CH) 2023-11-21 US disclosed
US-11542259-B2 Compounds for the treatment of kinase-dependent disorders EXELIXIS, INC. (US) 2023-01-03 US disclosed
EP-3889146-A1 POLYHETEROCYCLIC TLR7/8 ANTAGONISTS AND THEIR USES FOR TREATING IMMUNE DISORDERS Merck Patent GmbH (DE) 2021-10-06 EP disclosed
EP-3390389-B1 POLYCYCLIC TLR7/8 ANTAGONISTS AND USE THEREOF IN THE TREATMENT OF IMMUNE DISORDERS MERCK PATENT GMBH (DE) 2021-05-19 EP disclosed
US-20210115013-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2021-04-22 US disclosed
US-10961202-B2 Bis-benzimidazole compounds and methods of using the same THE SCRIPPS RESEARCH INSTITUTE (US) 2021-03-30 US disclosed
US-10947213-B1 TLR7/8 antagonists and uses thereof MERCK PATENT GMBH (DE) 2021-03-16 US disclosed
US-20090270365-A1 such as N-(2,4-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-(piperidin-1-ylmethyl)biphenyl-4-carboxamide, having vanilloid receptor 1 antagonistic activity, used as analgesics ASTELLAS PHARMA INC. (JP) 2009-10-29 US disclosed
US-20090270365-A1 such as N-(2,4-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-(piperidin-1-ylmethyl)biphenyl-4-carboxamide, having vanilloid receptor 1 antagonistic activity, used as analgesics ASTELLAS PHARMA INC. (JP) 2009-10-29 US disclosed
US-7585878-B2 Benzamide derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2009-09-08 US disclosed
US-7585878-B2 Benzamide derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2009-09-08 US disclosed
US-7585878-B2 Benzamide derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2009-09-08 US disclosed
US-20070167444-A1 Benzamide derivative or salt thereof ASTELLAS PHARMA INC. 2007-07-19 US disclosed
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma PHARMACIA CORPORATION 2007-04-05 US disclosed
US-20070049603-A1 Raf inhibitor compounds and methods of use thereof ARRAY BIOPHARMA INC. 2007-03-01 US disclosed
US-20070049603-A1 Raf inhibitor compounds and methods of use thereof ARRAY BIOPHARMA INC. 2007-03-01 US disclosed
EP-1632477-A1 BENZAMIDE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2006-03-08 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 (12 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-10961202-B2 Bis-benzimidazole compounds and methods of using the same HNRNPH1, HNRNPH3, HNRNPUL2 CA12 4533/4885CA1 4481/4885CA2 4323/4885
US-20070049603-A1 Raf inhibitor compounds and methods of use thereof BRAF, RAF1, ARAF CA12 4368/4885CA1 2919/4885CA2 3064/4885
US-11542259-B2 Compounds for the treatment of kinase-dependent disorders ERBB2, MAP3K6, MAP3K1 CA12 4303/4885CA1 4522/4885CA2 3193/4885
US-20240239774-A1 SOLUBLE ADENYLYL CYCLASE (SAC) INHIBITORS AND USES THEREOF UACA, ADCYAP1R1, ADCY1 CA12 2937/4885CA1 2579/4885CA2 1239/4885
US-20210115013-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 CA12 4770/4885CA1 4842/4885CA2 4665/4885
US-11826365-B2 Type II raf kinase inhibitors BRAF, RAF1, ARAF CA12 4601/4885CA1 4831/4885CA2 3629/4885
US-10947213-B1 TLR7/8 antagonists and uses thereof TLR7, TLR8, TLR9 CA12 4761/4885CA1 4833/4885CA2 4689/4885
US-20240025922-A1 TETRAHYDROPYRIDO[3,4-d]PYRIMIDINES AS HPK1 INHIBITORS PDXK, DTYMK, HIPK1 CA12 4877/4885CA1 4423/4885CA2 4431/4885
US-20090270365-A1 such as N-(2,4-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-(piperidin-1-ylmethyl)biphenyl-4-carboxamide, having vanilloid receptor 1 antagonistic activity, used as analgesics TRPV1, TRPV2, TRPV3 CA12 3000/4885CA1 1971/4885CA2 417/4885
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma MAPK1, MAPK3, MAPK4 CA12 4569/4885CA1 3353/4885CA2 3978/4885
US-20070167444-A1 Benzamide derivative or salt thereof TRPV1, BDKRB1, BDKRB2 CA12 2512/4885CA1 1692/4885CA2 338/4885
US-11820751-B2 Urolithin derivatives and methods of use thereof NLN, UQCRC2, TUFM CA12 2546/4885CA1 1079/4885CA2 2359/4885

“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.