SCHEMBL14633906

SCHEMBL14633906

Cc1ccccc1N1CCN(c2ccc(C(=O)NCCCCO)cc2N)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 10/20 0.61
DRD3 P35462 9/20 0.61
ADRA1A P35348 6/20 0.61
FSHR P23945 3/20 0.49
DRD4 P21917 4/20 0.48
NPC1 O15118 1/20 0.47
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
HTR1A P08908 1/20 0.46
ADRA2A P08913 1/20 0.46
CYP2D6 P10635 1/20 0.46
TSHR P16473 1/20 0.46
NFKB1 P19838 1/20 0.46
DRD1 P21728 1/20 0.46
ADRA1D P25100 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46

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
SCHEMBL14634038 0.97 DRD2 (0.59) DRD2DRD3ADRA1AFSHRDRD4
SCHEMBL14633951 0.92 DRD2 (0.61) DRD2DRD3ADRA1AFSHRDRD4
SCHEMBL19291178 0.90 DRD2 (0.59) DRD2DRD3ADRA1AFSHRDRD4
SCHEMBL14634003 0.90 DRD2 (0.59) DRD2DRD3ADRA1AFSHRDRD4
SCHEMBL14634148 0.89 DRD2 (0.54) DRD2DRD3ADRA1AFSHRDRD4
SCHEMBL14633902 0.88 DRD2 (0.59) DRD2DRD3ADRA1AFSHRDRD4
SCHEMBL14633515 0.88 DRD2 (0.56) DRD2DRD3ADRA1AFSHRNPC1
SCHEMBL14634064 0.88 DRD2 (0.56) DRD2DRD3ADRA1AFSHRDRD4
SCHEMBL14633895 0.87 DRD2 (0.54) DRD2DRD3ADRA1AFSHRDRD4
SCHEMBL14633914 0.87 DRD2 (0.55) DRD2DRD3ADRA1AFSHRNPC1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9938262-B2 Benzamides MERCK PATENT GMBH (DE) 2018-04-10 US disclosed
EP-3263568-A1 BENZAMIDES Merck Patent GmbH (DE) 2018-01-03 EP disclosed
EP-2734517-B1 BENZAMIDES MERCK PATENT GMBH (DE) 2017-08-30 EP disclosed
US-20170022191-A1 BENZAMIDES MERCK PATENT GMBH (DE) 2017-01-26 US disclosed
US-9498475-B2 Benzamides MERCK PATENT GMBH (DE) 2016-11-22 US disclosed
US-20160022670-A1 BENZAMIDES MERCK PATENT GMBH (DE) 2016-01-28 US disclosed
US-9181226-B2 Benzamides MERCK PATENT GMBH (DE) 2015-11-10 US disclosed
EP-2734517-A1 BENZAMIDES Merck Patent GmbH (DE) 2014-05-28 EP disclosed
WO-2013012848-A1 BENZAMIDES MERCK PATENT GMBH (DE) 2013-01-24 WO disclosed
US-20130023522-A1 BENZAMIDES MERCK PATENT GMBH (DE) 2013-01-24 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 (3 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-20160022670-A1 BENZAMIDES FSHR, GNRHR, LHCGR DRD2 1495/4885DRD3 1984/4885ADRA1A 169/4885
US-20170022191-A1 BENZAMIDES FSHR, GNRHR, LHCGR DRD2 1495/4885DRD3 1984/4885ADRA1A 169/4885
US-20130023522-A1 BENZAMIDES FSHR, GNRHR, LHCGR DRD2 1309/4885DRD3 1697/4885ADRA1A 216/4885

“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.