SCHEMBL4206237

SCHEMBL4206237

COC(=O)c1ccc(SCC(=O)NC2CCN(Cc3ccc(F)cc3)CC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 9/20 0.56
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
MCHR1 Q99705 2/20 0.53
SLC6A12 P48065 1/20 0.53
TMEM97 Q5BJF2 1/20 0.53
DRD3 P35462 2/20 0.51
CCR3 P51677 2/20 0.50
KDM4E B2RXH2 1/20 0.50
CYP2D6 P10635 1/20 0.49
CHRM1 P11229 1/20 0.49
HTR2A P28223 1/20 0.49
PRKAA2 P54646 1/20 0.49

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
SCHEMBL4205936 0.91 CCR3 (0.64) MCHR1CCR3
SCHEMBL4196888 0.89 SIGMAR1 (0.62) SIGMAR1NPC1RAB9ASMN1; SMN2MCHR1
SCHEMBL4201490 0.80 CCR3 (0.66) SIGMAR1MCHR1CCR3
SCHEMBL4207761 0.76 RAB9A (0.54) NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL5315300 0.75 KDM4E (0.65) SIGMAR1SMN1; SMN2KDM4E
SCHEMBL64445 0.75 KDM4E (0.68) SMN1; SMN2KDM4E
SCHEMBL25013994 0.74 KDM4E (0.64) SMN1; SMN2KDM4E
SCHEMBL4207869 0.74 SIGMAR1 (0.52) SIGMAR1SMN1; SMN2MCHR1CCR3KDM4E
SCHEMBL15745866 0.74 MEN1 (0.60) SIGMAR1SMN1; SMN2MCHR1SLC6A12TMEM97
SCHEMBL12011091 0.73 KDM4E (0.57) SIGMAR1MCHR1KDM4E

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 1 patent. 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

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 1718/4885NPC1 414/4885RAB9A 1034/4885

“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.