SCHEMBL4773746

SCHEMBL4773746

CC(=O)N1CCC(Cc2ccc(S(=O)(=O)NC(C)C)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.56
MAPT P10636 1/20 0.56
MAPK1 P28482 1/20 0.56
GAA P10253 2/20 0.56
NPSR1 Q6W5P4 1/20 0.50
ALDH1A1 P00352 2/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
HSD17B10 Q99714 1/20 0.47
POLB P06746 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
SCHEMBL4775649 0.86 MEN1 (0.51) KDM4EMAPTMAPK1NPSR1ALDH1A1
SCHEMBL3037038 0.83 CHRM2 (0.59) ALDH1A1MEN1KMT2APOLB
SCHEMBL4777804 0.83 MEN1 (0.71) KDM4EGAAALDH1A1MEN1KMT2A
SCHEMBL4775591 0.81 ALDH1A1 (0.60) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL3026497 0.81 CCR5 (0.55) MAPTNPSR1ALDH1A1MEN1KMT2A
SCHEMBL4771790 0.81 CA12 (0.46) ALDH1A1MEN1KMT2APOLB
SCHEMBL4771675 0.80 CNR2 (0.51) ALDH1A1MEN1KMT2A
SCHEMBL3040126 0.80 CA12 (0.50) ALDH1A1MEN1KMT2A
SCHEMBL4777747 0.80 CA2 (0.67) KDM4EALDH1A1MEN1KMT2A
SCHEMBL24254533 0.80 ALDH1A1 (0.70) MAPTGAANPSR1ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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 (1 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-20030114443-A1 Cyclic amine compounds as CCR5 antagonists CCR5, CCR1, CCR3 KDM4E 2791/4885MAPT 4492/4885MAPK1 835/4885

“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.