SCHEMBL4775699

SCHEMBL4775699

CON(C)S(=O)(=O)c1ccc(CC2CCNCC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.46
NMT1 P30419 3/20 0.43
SLC6A4 P31645 2/20 0.41
HTR2C P28335 2/20 0.39
HTR2B P41595 1/20 0.39
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 3/20 0.38
GAA P10253 2/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PSEN1 P49768 2/20 0.36
PSEN2 P49810 2/20 0.36
APH1B Q8WW43 2/20 0.36
NCSTN Q92542 2/20 0.36
APH1A Q96BI3 2/20 0.36
PSENEN Q9NZ42 2/20 0.36
HTR2A P28223 1/20 0.36

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
Hydrochloric Acid SCHEMBL4768645 0.85 GBA1 (0.50) GBA1NMT1SLC6A4HTR2CHTR2B
SCHEMBL4777542 0.82 GBA1 (0.47) GBA1NMT1SLC6A4HTR2CHTR2B
SCHEMBL4775679 0.82 ALDH1A1 (0.40) NMT1SLC6A4HTR2CHTR2BALDH1A1
SCHEMBL4768607 0.81 HTT (0.50) GBA1NMT1ALDH1A1GAAKMT2A
SCHEMBL3037834 0.78 GBA1 (0.56) GBA1NMT1SLC6A4GAASMN1; SMN2
Hydrochloric Acid SCHEMBL3034504 0.77 GBA1 (0.54) GBA1NMT1SLC6A4GAASMN1; SMN2
SCHEMBL4777240 0.77 GBA1 (0.54) GBA1NMT1SLC6A4GAASMN1; SMN2
Hydrochloric Acid SCHEMBL4773264 0.76 GBA1 (0.53) GBA1NMT1SLC6A4GAAHTR6
SCHEMBL4778179 0.75 LMNA (0.42) HTR2BALDH1A1KDM4EGAAMAPT
SCHEMBL25145663 0.75 GBA1 (0.56) GBA1NMT1SLC6A4HTR2CGAA

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 GBA1 2987/4885NMT1 661/4885SLC6A4 559/4885

“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.