SCHEMBL4771785

SCHEMBL4771785

CSc1ccc(C(=O)C2CCN(C(C)=O)CC2)cc1

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.56
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
HSD11B1 P28845 3/20 0.51
MGLL Q99685 6/20 0.50
ALDH1A1 P00352 4/20 0.50
POLB P06746 2/20 0.50
KDM4E B2RXH2 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50

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
SCHEMBL5187629 0.84 SLC18A3 (0.56) SLC18A3MEN1KMT2AALDH1A1POLB
SCHEMBL29448588 0.83 KMT2A (0.77) MEN1KMT2AHSD11B1MGLLALDH1A1
SCHEMBL4192633 0.81 HSD11B1 (0.65) SLC18A3MEN1KMT2AHSD11B1MGLL
SCHEMBL14640729 0.81 MEN1 (0.56) MEN1KMT2AHSD11B1MGLLALDH1A1
SCHEMBL6212608 0.81 HSD11B1 (0.74) HSD11B1MGLLALDH1A1POLBKDM4E
SCHEMBL4242803 0.81 GPR119 (0.65) SLC18A3MEN1KMT2APOLB
SCHEMBL7330630 0.81 CPB1 (0.63) MEN1KMT2AHSD11B1MGLLALDH1A1
SCHEMBL5187550 0.80 ALDH1A1 (0.57) SLC18A3MEN1KMT2AALDH1A1POLB
SCHEMBL6988277 0.80 ALDH1A1 (0.57) SLC18A3MEN1KMT2AALDH1A1POLB
SCHEMBL2993708 0.79 SRD5A2 (0.57) SLC18A3MEN1KMT2AALDH1A1POLB

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 SLC18A3 1155/4885MEN1 2216/4885KMT2A 2421/4885

“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.