SCHEMBL6712413

SCHEMBL6712413

O=C(NC1CCN(Cc2cccnc2)CC1)C(F)(F)F

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.66
CHRM1 P11229 2/20 0.66
CHRM3 P20309 2/20 0.66
SIGMAR1 Q99720 5/20 0.66
DRD4 P21917 1/20 0.61
SLC6A5 Q9Y345 1/20 0.60
CXCR4 P61073 1/20 0.58
CHRNB2 P17787 1/20 0.51
CHRNA4 P43681 1/20 0.51
HIF1A Q16665 1/20 0.51
EPAS1 Q99814 1/20 0.51
UBE2M P61081 1/20 0.51
DCUN1D1 Q96GG9 1/20 0.51
KCNH2 Q12809 1/20 0.51
MCHR1 Q99705 1/20 0.51
KDM4E B2RXH2 1/20 0.50
CACNA1I Q9P0X4 1/20 0.50
WNT1 P04628 1/20 0.49
DYRK1A Q13627 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
SCHEMBL5402061 0.85 SIGMAR1 (0.68) CHRM2CHRM1CHRM3SIGMAR1DRD4
SCHEMBL27579051 0.84 SIGMAR1 (0.74) CHRM2CHRM1CHRM3SIGMAR1DRD4
SCHEMBL18658336 0.80 SIGMAR1 (0.71) CHRM2CHRM1CHRM3SIGMAR1UBE2M
SCHEMBL18658299 0.79 SIGMAR1 (0.65) SIGMAR1UBE2MDCUN1D1MCHR1
SCHEMBL13663051 0.78 EPHX2 (0.69) DRD4SLC6A5
SCHEMBL62237 0.78 DRD4 (0.76) SIGMAR1DRD4SLC6A5CXCR4HIF1A
SCHEMBL7656471 0.78 SIGMAR1 (0.65) CHRM2CHRM1CHRM3SIGMAR1DRD4
SCHEMBL4390012 0.78 DRD4 (0.65) CHRM2CHRM1CHRM3SIGMAR1DRD4
SCHEMBL6865672 0.78 DRD4 (0.65) CHRM2CHRM1CHRM3SIGMAR1DRD4
SCHEMBL6712602 0.77 DRD4 (0.65) CHRM2CHRM1CHRM3SIGMAR1DRD4

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-20040034028-A1 4-(biphenylcarbonylamino)piperidine derivatives as mtp inhibitors MERCK PATENT GMBH (DE) 2004-02-19 US disclosed
EP-1335912-A1 4-(BIPHENYLCARBONYLAMINO)PIPERIDINE DERIVATIVES AS MTP INHIBITORS MERCK PATENT GmbH (DE) 2003-08-20 EP disclosed
WO-2002042291-A1 4-(BIPHENYLCARBONYLAMINO)PIPERIDINE DERIVATIVES AS MTP INHIBITORS MERCK PATENT GMBH (DE) 2002-05-30 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-20040034028-A1 4-(biphenylcarbonylamino)piperidine derivatives as mtp inhibitors LIPC, CETP, MTTP CHRM2 2977/4885CHRM1 2289/4885CHRM3 3036/4885

“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.