SCHEMBL6714432

SCHEMBL6714432

O=C(NC1CCN(Cc2cccnc2)CC1)c1ccccc1-c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A5 Q9Y345 1/20 0.57
DRD4 P21917 1/20 0.56
CCR3 P51677 3/20 0.54
SIGMAR1 Q99720 1/20 0.52
CHRM2 P08172 3/20 0.51
CHRM1 P11229 3/20 0.51
CXCR4 P61073 1/20 0.51
SSTR5 P35346 1/20 0.50
CHRM3 P20309 2/20 0.49
CHRM5 P08912 1/20 0.49
CHRM4 P08173 3/20 0.49
MMP1 P03956 1/20 0.48
MMP3 P08254 1/20 0.48
MMP9 P14780 1/20 0.48
MMP8 P22894 1/20 0.48
MMP13 P45452 1/20 0.48
MMP14 P50281 1/20 0.48
BCHE P06276 1/20 0.48
ACHE P22303 1/20 0.48
BACE1 P56817 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
SCHEMBL6715786 0.90 CCR3 (0.62) SLC6A5DRD4CCR3SIGMAR1CHRM2
SCHEMBL6715536 0.89 SLC6A5 (0.65) SLC6A5DRD4CCR3SIGMAR1CHRM2
Hydrochloric Acid SCHEMBL6715783 0.88 SLC6A5 (0.64) SLC6A5DRD4CCR3SIGMAR1CHRM2
SCHEMBL6715492 0.86 CCR3 (0.56) SLC6A5DRD4CCR3CHRM2CHRM1
Fumaric Acid SCHEMBL6713953 0.84 SLC6A5 (0.59) SLC6A5DRD4CCR3SIGMAR1CHRM2
SCHEMBL6714169 0.83 CCR3 (0.48) DRD4CCR3CHRM2CHRM1SSTR5
SCHEMBL6716204 0.81 CCR3 (0.48) DRD4CCR3CHRM2CHRM1SSTR5
SCHEMBL13663051 0.81 EPHX2 (0.69) SLC6A5DRD4
SCHEMBL6714325 0.80 MCHR1 (0.57) DRD4CCR3CHRM2CHRM1CHRM3
SCHEMBL6719419 0.80 CCR3 (0.51) DRD4CCR3CHRM2CHRM1SSTR5

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 6 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 claimed
EP-1335912-A1 4-(BIPHENYLCARBONYLAMINO)PIPERIDINE DERIVATIVES AS MTP INHIBITORS MERCK PATENT GmbH (DE) 2003-08-20 EP claimed
WO-2002042291-A1 4-(BIPHENYLCARBONYLAMINO)PIPERIDINE DERIVATIVES AS MTP INHIBITORS MERCK PATENT GMBH (DE) 2002-05-30 WO claimed
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 SLC6A5 811/4885DRD4 2894/4885CCR3 2275/4885

“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.