SCHEMBL4040184

SCHEMBL4040184

O=C(CCl)NC1CCN(Cc2ccc(F)c(F)c2)CC1

nearest known ligand 0.74

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 17/20 0.74
MCHR1 Q99705 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.55

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 SCHEMBL7490796 0.87 SIGMAR1 (0.58) SIGMAR1MCHR1
SCHEMBL8023864 0.85 SIGMAR1 (1.00) SIGMAR1
SCHEMBL6328866 0.84 SIGMAR1 (0.70) SIGMAR1MCHR1
SCHEMBL2213082 0.84 SIGMAR1 (0.76) SIGMAR1MCHR1
SCHEMBL5124505 0.81 SIGMAR1 (0.81) SIGMAR1L3MBTL1
SCHEMBL4034703 0.79 SIGMAR1 (0.62) SIGMAR1MCHR1
SCHEMBL4040546 0.78 SIGMAR1 (0.61) SIGMAR1L3MBTL1
SCHEMBL17950911 0.78 SIGMAR1 (0.60) SIGMAR1MCHR1
SCHEMBL17950892 0.78 SIGMAR1 (0.60) SIGMAR1MCHR1
SCHEMBL1022187 0.77 SIGMAR1 (0.60) SIGMAR1MCHR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1212299-B1 SUBSTITUTED PIPERIDINE COMPOUNDS USEFUL AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA UK LTD (GB) 2009-04-08 EP disclosed
US-20050250792-A1 Substituted piperidine compounds useful as modulators of chemokine receptor activity MERRILL LYNCH CAPITAL, A DIVISION OF MERRILL LYNCH BUSINESS FINANCIAL SERVICES, INC. AS ADMINISTRATIVE AGENT 2005-11-10 US disclosed
US-6903085-B1 Substituted piperidine compounds useful as modulators of chemokine receptor activity ASTRAZENECA, AB (CH) 2005-06-07 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-20050250792-A1 Substituted piperidine compounds useful as modulators of chemokine receptor activity CXCR4, CXCR1, CXCR3 SIGMAR1 126/4885MCHR1 408/4885L3MBTL1 4420/4885

“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.