SCHEMBL4199788

SCHEMBL4199788

O=C(CSc1ccc(C(=O)O)cc1Cl)NC1CCN(Cc2ccc(Cl)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 10/20 0.57
DRD4 P21917 1/20 0.54
CCR1 P32246 2/20 0.54
CCR3 P51677 2/20 0.54
MCHR1 Q99705 1/20 0.53
TDP1 Q9NUW8 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
TEAD1 P28347 1/20 0.50
SLC6A12 P48065 1/20 0.48

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
SCHEMBL4201527 0.86 CCR3 (0.49) SIGMAR1DRD4CCR1CCR3MCHR1
SCHEMBL4977320 0.78 CCR3 (0.43) SIGMAR1DRD4CCR1CCR3MCHR1
SCHEMBL4211485 0.77 SIGMAR1 (0.68) SIGMAR1CCR1CCR3MEN1KMT2A
SCHEMBL4196888 0.76 SIGMAR1 (0.62) SIGMAR1CCR3MCHR1SLC6A12
SCHEMBL4031095 0.74 SIGMAR1 (0.74) SIGMAR1CCR1CCR3MEN1KMT2A
SCHEMBL3590338 0.74 SIGMAR1 (0.73) SIGMAR1DRD4MCHR1MEN1KMT2A
SCHEMBL9870172 0.73 MEN1 (0.78) SIGMAR1DRD4MCHR1MEN1KMT2A
SCHEMBL6205049 0.73 SIGMAR1 (0.72) SIGMAR1DRD4TEAD1
SCHEMBL5120412 0.73 SIGMAR1 (0.72) SIGMAR1CCR1CCR3MCHR1
SCHEMBL2387749 0.73 UTS2R (0.70) SIGMAR1DRD4MCHR1MEN1KMT2A

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
US-20090023733-A1 Piperidine Derivatives, Their Process for Preparation, Their Use as Therapeutic Agents and Pharmaceutical Compositions Containing Them ASTRAZENECA AB (SE) 2009-01-22 US disclosed
EP-1994002-A1 PIPERIDINE DERIVATIVES, THEIR PROCESS FOR PREPARATION, THEIR USE AS THERAPEUTIC AGENTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AstraZeneca AB (SE) 2008-11-26 EP disclosed
WO-2007102767-A1 PIPERIDINE DERIVATIVES, THEIR PROCESS FOR PREPARATION, THEIR USE AS THERAPEUTIC AGENTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ASTRAZENECA AB (SE) 2007-09-13 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-20090023733-A1 Piperidine Derivatives, Their Process for Preparation, Their Use as Therapeutic Agents and Pharmaceutical Compositions Containing Them CCR3, CCR1, CCR5 SIGMAR1 1718/4885DRD4 464/4885CCR1 2/4885

“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.