SCHEMBL4778089

SCHEMBL4778089

CS(=O)(=O)c1ccc(CC2CCN(CCCNc3ccc(F)cc3)CC2)cc1

nearest known ligand 0.77

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 18/20 0.77
HTR2A P28223 2/20 0.53

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
SCHEMBL4768660 0.91 CCR3 (0.65) CCR3HTR2A
Hydrochloric Acid SCHEMBL4775114 0.90 CCR3 (0.64) CCR3HTR2A
SCHEMBL4771650 0.89 CCR3 (0.63) CCR3
Hydrochloric Acid SCHEMBL4777974 0.89 CCR3 (0.63) CCR3
Hydrochloric Acid SCHEMBL3035491 0.89 CCR3 (0.62) CCR3HTR2A
SCHEMBL4775131 0.89 CCR3 (0.62) CCR3HTR2A
SCHEMBL4770271 0.89 CCR3 (0.62) CCR3
Hydrochloric Acid SCHEMBL4771572 0.88 CCR3 (0.61) CCR3
Hydrochloric Acid SCHEMBL4771016 0.88 CCR3 (0.61) CCR3HTR2A
Hydrochloric Acid SCHEMBL4768581 0.88 CCR3 (0.64) CCR3HTR2A

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 CCR3 3/4885HTR2A 629/4885

“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.