SCHEMBL4773778

SCHEMBL4773778

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

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.52
MAPT P10636 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.49
FAAH O00519 1/20 0.49
CHRM2 P08172 1/20 0.48
LMNA P02545 1/20 0.48

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
SCHEMBL4777127 0.85 CHRM2 (0.61) POLBMAPTNPSR1MEN1KMT2A
SCHEMBL4775586 0.85 CHRM2 (0.61) POLBMEN1KMT2ACHRM2
SCHEMBL4771649 0.83 RAB9A (0.54) POLBMAPTNPSR1MEN1KMT2A
SCHEMBL12466655 0.83 MEN1 (0.77) POLBMAPTNPSR1MEN1KMT2A
SCHEMBL4768603 0.83 TMEM97 (0.57) MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL4768629 0.81 GAA (0.67) POLBMAPTNPSR1MEN1KMT2A
SCHEMBL5169485 0.81 FAAH (0.63) MAPTFAAHLMNA
SCHEMBL8250056 0.81 PLK1 (0.54) MEN1KMT2ASMN1; SMN2
SCHEMBL25843872 0.81 PLK1 (0.54) MEN1KMT2ASMN1; SMN2
SCHEMBL4777270 0.81 POLB (0.49) POLBMAPTNPSR1MEN1KMT2A

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 POLB 1965/4885MAPT 4492/4885NPSR1 389/4885

“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.