SCHEMBL6715536

SCHEMBL6715536

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

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A5 Q9Y345 2/20 0.65
DRD4 P21917 5/20 0.58
DRD2 P14416 1/20 0.55
SIGMAR1 Q99720 3/20 0.55
HIF1A Q16665 1/20 0.55
EPAS1 Q99814 1/20 0.55
CHRM2 P08172 2/20 0.54
CHRM1 P11229 2/20 0.54
CXCR4 P61073 1/20 0.54
CHRM3 P20309 1/20 0.54
CCR3 P51677 1/20 0.54
KCNH2 Q12809 2/20 0.53
ADRA2A P08913 1/20 0.53
ADORA3 P0DMS8 1/20 0.53
DRD1 P21728 1/20 0.53
TBXA2R P21731 1/20 0.53
PTGS1 P23219 1/20 0.53
SLC6A2 P23975 1/20 0.53
ADRA1A P35348 1/20 0.53
OPRM1 P35372 1/20 0.53

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
Hydrochloric Acid SCHEMBL6715783 0.99 SLC6A5 (0.64) SLC6A5DRD4DRD2SIGMAR1HIF1A
Fumaric Acid SCHEMBL6713953 0.95 SLC6A5 (0.59) SLC6A5DRD4DRD2SIGMAR1HIF1A
SCHEMBL3731091 0.90 DRD4 (0.68) SLC6A5DRD4DRD2SIGMAR1CHRM2
SCHEMBL6714432 0.89 SLC6A5 (0.57) SLC6A5DRD4SIGMAR1CHRM2CHRM1
SCHEMBL6714253 0.83 DRD4 (0.55) SLC6A5DRD4DRD2SIGMAR1CHRM2
SCHEMBL20074561 0.82 SIGMAR1 (0.60) SLC6A5DRD4DRD2SIGMAR1CHRM2
SCHEMBL6713957 0.82 DRD4 (0.52) SLC6A5DRD4DRD2SIGMAR1CHRM2
SCHEMBL3731129 0.81 MTTP (0.59) SLC6A5DRD4DRD2SIGMAR1CHRM2
SCHEMBL6714001 0.80 DRD4 (0.57) SLC6A5DRD4DRD2SIGMAR1CHRM2
SCHEMBL13351375 0.80 MTTP (0.58) DRD4DRD2SIGMAR1CHRM2CHRM1

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 8 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-20090220421-A1 METHOD FOR SCREENING MTP-INHIBITING COMPOUNDS MERCK PATENT GESELLSCHAFT (DE) 2009-09-03 US disclosed
US-20090220421-A1 METHOD FOR SCREENING MTP-INHIBITING COMPOUNDS MERCK PATENT GESELLSCHAFT (DE) 2009-09-03 US disclosed
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 (2 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 2894/4885DRD2 3455/4885
US-20090220421-A1 METHOD FOR SCREENING MTP-INHIBITING COMPOUNDS MTTP, CETP, HDLBP SLC6A5 1403/4885DRD4 4735/4885DRD2 4873/4885

“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.