SCHEMBL4775666

SCHEMBL4775666

O=S(=O)(c1ccc(CC2CCNCC2)cc1)N1CCCC1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
USP2 O75604 1/20 0.53
HTT P42858 2/20 0.52
GAA P10253 1/20 0.52
TSHR P16473 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
TDP1 Q9NUW8 1/20 0.51
HTR2C P28335 2/20 0.49
HTR2B P41595 2/20 0.49
LMNA P02545 1/20 0.49
GBA1 P04062 1/20 0.49
MAPT P10636 1/20 0.48
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 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
SCHEMBL4775689 0.99 USP2 (0.56) MEN1KMT2AUSP2HTTGAA
SCHEMBL4770991 0.88 SMN1; SMN2 (0.60) MEN1KMT2AHTTGAATSHR
SCHEMBL4771703 0.81 USP2 (0.58) MEN1KMT2AUSP2HTTGAA
SCHEMBL22325098 0.78 LMNA (0.74) MEN1KMT2AUSP2HTTGAA
SCHEMBL4772932 0.78 GBA1 (0.53) HTTGAATSHRSMN1; SMN2GBA1
SCHEMBL25145663 0.77 GBA1 (0.56) MEN1KMT2AHTTGAATSHR
SCHEMBL27917814 0.77 GBA1 (0.56) MEN1KMT2AHTTSMN1; SMN2LMNA
SCHEMBL3037834 0.77 GBA1 (0.56) HTTGAATSHRSMN1; SMN2GBA1
SCHEMBL4768591 0.77 MEN1 (0.53) MEN1KMT2AUSP2HTTGAA
SCHEMBL2551595 0.77 TSHR (0.58) MEN1KMT2AUSP2TSHRSMN1; SMN2

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 6 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
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 MEN1 2216/4885KMT2A 2421/4885USP2 4847/4885

“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.