SCHEMBL4771631

SCHEMBL4771631

CC(C)(C)OC(=O)N1CCC(Cc2ccc(NS(C)(=O)=O)cc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 6/20 0.59
TGFBR1 P36897 9/20 0.53
PTPRB P23467 1/20 0.52
PTPN11 Q06124 1/20 0.52
LIMK2 P53671 1/20 0.50
PTPN2 P17706 1/20 0.50
PTPN1 P18031 1/20 0.50
PTPN6 P29350 1/20 0.50

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
SCHEMBL1575070 0.87 GPR119 (0.57) GPR119TGFBR1PTPRBPTPN11LIMK2
SCHEMBL31702301 0.86 PTPN2 (0.54) GPR119TGFBR1PTPN2PTPN1PTPN6
SCHEMBL9444298 0.84 POLB (0.51)
SCHEMBL6011396 0.84 GPR119 (0.56) GPR119TGFBR1LIMK2
SCHEMBL6011369 0.83 GPR119 (0.56) GPR119TGFBR1
SCHEMBL18379198 0.82 GPR119 (0.62) GPR119TGFBR1PTPN2PTPN1PTPN6
SCHEMBL2250178 0.82 GPR119 (0.60) GPR119PTPN2PTPN1PTPN6
SCHEMBL16113579 0.82 GPR119 (0.61) GPR119
SCHEMBL12263494 0.82 KDM4E (0.53) GPR119TGFBR1PTPN2PTPN1PTPN6
SCHEMBL27587921 0.81 PTPN2 (0.52) GPR119PTPN2PTPN1PTPN6

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 5 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
CN-1390201-A cyclic amine compounds as CCR5 antagonists TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-01-08 CN 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 GPR119 447/4885TGFBR1 604/4885PTPRB 4543/4885

“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.