SCHEMBL4771590

SCHEMBL4771590

O=C(N1CCC(Cc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1)C(F)(F)F

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
GAA P10253 1/20 0.52
ALDH1A1 P00352 3/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
POLB P06746 2/20 0.49
TSHR P16473 1/20 0.49
MAPK1 P28482 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
EPHX2 P34913 1/20 0.47
PKM P14618 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
Morpholine SCHEMBL7511819 0.94 LMNA (0.48) LMNASMN1; SMN2NPSR1GAAALDH1A1
SCHEMBL4768591 0.90 MEN1 (0.53) LMNAGAAALDH1A1MEN1KMT2A
SCHEMBL4770922 0.88 KMT2A (0.52) LMNAGAAALDH1A1MEN1KMT2A
SCHEMBL4768774 0.82 CA12 (0.46) MEN1KMT2A
SCHEMBL4770991 0.78 SMN1; SMN2 (0.60) LMNASMN1; SMN2NPSR1GAAALDH1A1
SCHEMBL4777132 0.77 ALDH1A1 (0.51) LMNASMN1; SMN2NPSR1GAAALDH1A1
SCHEMBL4778190 0.77 HPGD (0.46) NPSR1ALDH1A1MEN1KMT2APOLB
SCHEMBL18321550 0.76 CCR3 (0.49) MEN1KMT2A
SCHEMBL4777242 0.76 LMNA (0.43) LMNAGAAALDH1A1MEN1KMT2A
SCHEMBL4768006 0.76 CYP2C9 (0.64) LMNAGAAMEN1KMT2A

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
EP-1219605-B1 UREA COMPOUNDS, PROCESS FOR PRODUCING THE SAME AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2006-05-10 EP disclosed
US-6787650-B1 CCR5 ANTAGONISTIC ACTIVITY; SUCH AS N-(3-(4-BENZYL-1-PIPERIDINYL)PROPYL)-N'-4-CHLOROPHENYL)-N-PHENYLUREA TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2004-09-07 US 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-1219605-A1 UREA COMPOUNDS, PROCESS FOR PRODUCING THE SAME AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2002-07-03 EP 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 LMNA 3240/4885SMN1; SMN2 3833/4885NPSR1 389/4885

“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.