SCHEMBL4770977

SCHEMBL4770977

O=C(N1CCC(S(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)CC1)C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.47
MAPT P10636 2/20 0.47
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
MBTD1 Q05BQ5 1/20 0.46
L3MBTL3 Q96JM7 1/20 0.46
ALDH1A1 P00352 4/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MAPK1 P28482 1/20 0.45
GLA P06280 1/20 0.45
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
ABCC9 O60706 2/20 0.44
ABCC8 Q09428 2/20 0.44
KCNJ11 Q14654 2/20 0.44
KCNJ8 Q15842 2/20 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
SCHEMBL24762040 0.83 EPHX2 (0.42)
SCHEMBL24762618 0.83 EPHX2 (0.39)
SCHEMBL24762643 0.83 CA12 (0.40) LMNA
SCHEMBL4768591 0.82 MEN1 (0.53) USP2MAPTKMT2AMEN1TDP1
SCHEMBL4778050 0.81 TSHR (0.47) USP2MAPTKMT2AMEN1TDP1
SCHEMBL4770922 0.81 KMT2A (0.52) USP2MAPTKMT2AMEN1ALDH1A1
SCHEMBL4775636 0.80 SLC9A1 (0.44) MAPTKMT2AMEN1TDP1L3MBTL1
SCHEMBL4776446 0.77 HPGD (0.48) KMT2AMEN1L3MBTL1ALDH1A1NPC1
SCHEMBL4770310 0.76 HTR2A (0.39) MAPTKMT2AL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL14035032 0.75 ALDH1A1 (0.66) USP2KMT2AMEN1TDP1ALDH1A1

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 4 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

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 USP2 4847/4885MAPT 4492/4885KMT2A 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.