SCHEMBL4770922

SCHEMBL4770922

O=C(N1CCC(Cc2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1)C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.52
MEN1 O00255 4/20 0.52
USP2 O75604 1/20 0.48
MAPT P10636 3/20 0.47
LMNA P02545 2/20 0.46
HTT P42858 2/20 0.46
GAA P10253 1/20 0.46
ALDH1A1 P00352 3/20 0.46
GLA P06280 1/20 0.45
NAMPT P43490 1/20 0.44

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
SCHEMBL4768591 0.99 MEN1 (0.53) KMT2AMEN1USP2MAPTLMNA
SCHEMBL4771590 0.88 LMNA (0.54) KMT2AMEN1LMNAGAAALDH1A1
SCHEMBL4768774 0.84 CA12 (0.46) KMT2AMEN1
Morpholine SCHEMBL7511819 0.83 LMNA (0.48) KMT2AMEN1MAPTLMNAGAA
SCHEMBL4770977 0.81 USP2 (0.47) KMT2AMEN1USP2MAPTLMNA
SCHEMBL4777132 0.79 ALDH1A1 (0.51) KMT2AMEN1MAPTLMNAHTT
SCHEMBL4778190 0.79 HPGD (0.46) KMT2AMEN1HTTALDH1A1
SCHEMBL4778050 0.79 TSHR (0.47) KMT2AMEN1USP2MAPTLMNA
SCHEMBL18321550 0.78 CCR3 (0.49) KMT2AMEN1
SCHEMBL4777242 0.78 LMNA (0.43) KMT2AMEN1LMNAGAAALDH1A1

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 KMT2A 2421/4885MEN1 2216/4885USP2 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.