SCHEMBL4196888

SCHEMBL4196888

O=C(CSc1ccc(C(=O)O)cc1)NC1CCN(Cc2ccc(F)cc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 15/20 0.62
MCHR1 Q99705 2/20 0.59
SLC6A12 P48065 1/20 0.59
TMEM97 Q5BJF2 1/20 0.59
NPC1 O15118 1/20 0.59
RAB9A P51151 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
ATM Q13315 1/20 0.53
GPR55 Q9Y2T6 1/20 0.53
CCR3 P51677 1/20 0.53
PRKAA2 P54646 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
SCHEMBL4201490 0.90 CCR3 (0.66) SIGMAR1MCHR1CCR3
SCHEMBL4206237 0.89 SIGMAR1 (0.56) SIGMAR1MCHR1SLC6A12TMEM97NPC1
SCHEMBL4205936 0.80 CCR3 (0.64) MCHR1CCR3
SCHEMBL5862050 0.77 SIGMAR1 (1.00) SIGMAR1CCR3
SCHEMBL8037825 0.77 SIGMAR1 (1.00) SIGMAR1CCR3
SCHEMBL4031095 0.77 SIGMAR1 (0.74) SIGMAR1NPC1RAB9ACCR3
SCHEMBL4199788 0.76 SIGMAR1 (0.57) SIGMAR1MCHR1SLC6A12CCR3
SCHEMBL4034703 0.75 SIGMAR1 (0.62) SIGMAR1MCHR1CCR3
SCHEMBL1425074 0.75 SIGMAR1 (1.00) SIGMAR1MCHR1SLC6A12TMEM97ATM
SCHEMBL4215812 0.74 NPC1 (0.57) NPC1RAB9ASMN1; SMN2

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 1718/4885MCHR1 1981/4885SLC6A12 4460/4885

“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.