SCHEMBL4775599

SCHEMBL4775599

Clc1ccc(NCCCN2CCC(Cc3ccccc3)CC2)cc1Cl

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 4/20 0.60
SLC6A2 P23975 7/20 0.56
SLC6A4 P31645 6/20 0.56
CCR3 P51677 4/20 0.55
SLC6A3 Q01959 2/20 0.55
SIGMAR1 Q99720 1/20 0.54
CARM1 Q86X55 1/20 0.53
PRMT6 Q96LA8 1/20 0.53
KCNH2 Q12809 1/20 0.52

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
Hydrochloric Acid SCHEMBL7187539 0.99 TMEM97 (0.59) TMEM97SLC6A2SLC6A4CCR3SLC6A3
Hydrochloric Acid SCHEMBL6056639 0.99 TMEM97 (0.59) TMEM97SLC6A2SLC6A4CCR3SLC6A3
SCHEMBL4778975 0.91 TMEM97 (0.58) TMEM97SLC6A2SLC6A4CCR3SLC6A3
Hydrochloric Acid SCHEMBL7461751 0.90 TMEM97 (0.57) TMEM97SLC6A2SLC6A4CCR3SLC6A3
Hydrochloric Acid SCHEMBL7187859 0.90 TMEM97 (0.57) TMEM97SLC6A2SLC6A4CCR3SLC6A3
SCHEMBL4775648 0.90 CCR3 (0.54) CCR3
Hydrochloric Acid SCHEMBL6056734 0.89 CCR3 (0.53) CCR3
Hydrochloric Acid SCHEMBL7186874 0.89 CCR3 (0.53) CCR3
SCHEMBL4771078 0.88 TMEM97 (0.71) TMEM97SLC6A2SLC6A4CCR3SLC6A3
Hydrochloric Acid SCHEMBL7196321 0.87 TMEM97 (0.70) TMEM97SLC6A2SLC6A4CCR3SLC6A3

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
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 TMEM97 1672/4885SLC6A2 459/4885SLC6A4 559/4885

“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.