SCHEMBL6712602

SCHEMBL6712602

O=C(NC1CCN(Cc2cccnc2)CC1)c1ccccc1Br

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 4/20 0.65
SIGMAR1 Q99720 3/20 0.64
CXCR4 P61073 1/20 0.62
POLB P06746 1/20 0.57
CHRM2 P08172 1/20 0.56
CHRM1 P11229 1/20 0.56
CHRM3 P20309 1/20 0.56
HPGD P15428 1/20 0.56
TSHR P16473 1/20 0.56
SLC6A5 Q9Y345 1/20 0.54
SLC6A12 P48065 1/20 0.53
L3MBTL1 Q9Y468 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
SCHEMBL6956820 0.87 SIGMAR1 (0.73) DRD4SIGMAR1POLBSLC6A12L3MBTL1
SCHEMBL62237 0.81 DRD4 (0.76) DRD4SIGMAR1CXCR4TSHRSLC6A5
SCHEMBL6715536 0.80 SLC6A5 (0.65) DRD4SIGMAR1CXCR4CHRM2CHRM1
Hydrochloric Acid SCHEMBL6715783 0.79 SLC6A5 (0.64) DRD4SIGMAR1CXCR4CHRM2CHRM1
SCHEMBL10251883 0.79 CXCR4 (0.74) DRD4SIGMAR1CXCR4CHRM2CHRM1
SCHEMBL27579051 0.78 SIGMAR1 (0.74) DRD4SIGMAR1CXCR4CHRM2CHRM1
SCHEMBL6714432 0.77 SLC6A5 (0.57) DRD4SIGMAR1CXCR4CHRM2CHRM1
SCHEMBL6712413 0.77 CHRM2 (0.66) DRD4SIGMAR1CXCR4CHRM2CHRM1
SCHEMBL30791189 0.76 CXCR4 (1.00) DRD4SIGMAR1CXCR4CHRM2CHRM1
Fumaric Acid SCHEMBL6713953 0.76 SLC6A5 (0.59) DRD4SIGMAR1CXCR4CHRM2CHRM1

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 DRD4 2894/4885SIGMAR1 230/4885CXCR4 1910/4885

“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.