SCHEMBL4771649

SCHEMBL4771649

COC(=O)c1ccc(CC2CCN(C(=O)O)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.54
POLB P06746 1/20 0.52
MAPT P10636 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
MAPK14 Q16539 1/20 0.50
ALDH1A1 P00352 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL31352725 0.85 LOXL2 (0.58) MAPTMEN1KMT2A
SCHEMBL27177263 0.84 KMT2A (0.53) RAB9APOLBMEN1KMT2ASMN1; SMN2
SCHEMBL4773778 0.83 POLB (0.52) POLBMAPTNPSR1MEN1KMT2A
SCHEMBL3907013 0.83 KDM4E (0.55) MAPTKMT2AALDH1A1
SCHEMBL12466228 0.83 MEN1 (0.77) RAB9APOLBMAPTNPSR1MEN1
SCHEMBL4958207 0.83 MEN1 (0.65) RAB9APOLBMEN1KMT2ASMN1; SMN2
SCHEMBL4775586 0.83 CHRM2 (0.61) POLBMEN1KMT2A
SCHEMBL6963348 0.82 LOXL2 (0.54) POLBMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL4768629 0.81 GAA (0.67) POLBMAPTNPSR1MEN1KMT2A
SCHEMBL2893082 0.81 DRD4 (0.52) RAB9AMEN1KMT2ASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230250106-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-08-10 US disclosed
EP-1220842-B1 CYCLIC AMINE COMPOUND AS CCR5 ANTAGONIST TAKEDA PHARMACEUTICAL (JP) 2008-07-09 EP disclosed
US-7348324-B2 Cyclic amine compounds as CCR5 antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-03-25 US disclosed
EP-1886994-A1 Cyclic amine compounds as CCR5 antagonists Takeda Pharmaceutical Company Limited (JP) 2008-02-13 EP disclosed
CN-1805951-A Substituted piperidine carbamates for use as inhibitors of hormone sensitive lipase NOVO NORDISK AS (DK) 2006-07-19 CN disclosed
EP-1219605-B1 UREA COMPOUNDS, PROCESS FOR PRODUCING THE SAME AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2006-05-10 EP disclosed
US-6787650-B1 CCR5 ANTAGONISTIC ACTIVITY; SUCH AS N-(3-(4-BENZYL-1-PIPERIDINYL)PROPYL)-N'-4-CHLOROPHENYL)-N-PHENYLUREA TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2004-09-07 US disclosed
US-20030114443-A1 Cyclic amine compounds as CCR5 antagonists TOBIRA THERAPEUTICS, INC. 2003-06-19 US disclosed
US-6562978-B1 N-(3-(4-(4-(Aminocarbonyl)benzyl)-1-piperidinyl)propyl)-N-(3, 4-dichlorophenyl)-1-(methylsulfonyl)-4-piperidinecarboxamide or a salt thereof for treatment of AIDS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-05-13 US disclosed
CN-1390201-A cyclic amine compounds as CCR5 antagonists TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-01-08 CN disclosed
EP-1220842-A1 CYCLIC AMINE COMPOUNDS AS CCR5 ANTAGONISTS Takeda Chemical Industries, Ltd. (JP) 2002-07-10 EP disclosed
EP-1219605-A1 UREA COMPOUNDS, PROCESS FOR PRODUCING THE SAME AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2002-07-03 EP disclosed
WO-2001025200-A1 CYCLIC AMINE COMPOUNDS AS CCR5 ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-04-12 WO 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 (2 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-20230250106-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 RAB9A 876/4885POLB 430/4885MAPT 3027/4885
US-20030114443-A1 Cyclic amine compounds as CCR5 antagonists CCR5, CCR1, CCR3 RAB9A 2291/4885POLB 1965/4885MAPT 4492/4885

“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.