SCHEMBL4040546

SCHEMBL4040546

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

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 14/20 0.61
MEN1 O00255 1/20 0.61
KMT2A Q03164 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
SCHEMBL6312739 0.88 SIGMAR1 (0.76) SIGMAR1MEN1KMT2A
SCHEMBL4036751 0.83 PARP1 (0.52) SIGMAR1MEN1KMT2A
SCHEMBL23573241 0.83 SIGMAR1 (0.50) SIGMAR1KMT2A
SCHEMBL3590338 0.83 SIGMAR1 (0.73) SIGMAR1MEN1KMT2A
SCHEMBL20640315 0.80 SIGMAR1 (0.73) SIGMAR1KMT2AL3MBTL1
SCHEMBL2425554 0.80 SIGMAR1 (0.78) SIGMAR1KMT2AL3MBTL1
SCHEMBL14543174 0.79 SIGMAR1 (0.58) SIGMAR1MEN1KMT2A
SCHEMBL17080573 0.79 SIGMAR1 (0.74) SIGMAR1KMT2AL3MBTL1
SCHEMBL1606020 0.79 SIGMAR1 (0.68) SIGMAR1KMT2AL3MBTL1
Hydrochloric Acid SCHEMBL21410212 0.78 SIGMAR1 (0.76) SIGMAR1KMT2AL3MBTL1

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 126/4885MEN1 4130/4885KMT2A 2580/4885

“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.