SCHEMBL7051736

SCHEMBL7051736

CCN(CCn1c(=O)n(CCN2CCN(c3cccc(C(F)(F)F)c3)CC2)c2ccccc21)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.56
SLC6A4 P31645 3/20 0.56
DRD3 P35462 2/20 0.56
ABCB11 O95342 1/20 0.56
ADRA2A P08913 1/20 0.56
ADORA3 P0DMS8 1/20 0.56
CHRM1 P11229 1/20 0.56
DRD1 P21728 1/20 0.56
TBXA2R P21731 1/20 0.56
ADRA1A P35348 1/20 0.56
OPRM1 P35372 1/20 0.56
KCNH2 Q12809 1/20 0.56
SIGMAR1 Q99720 2/20 0.50
DRD2 P14416 1/20 0.48
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HTR7 P34969 4/20 0.47
POLB P06746 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
SCHEMBL7060114 0.95 SIGMAR1 (0.56) HTR1ASLC6A4DRD3ABCB11ADRA2A
SCHEMBL11929304 0.82 HTR1A (0.67) HTR1ASLC6A4DRD3ABCB11ADRA2A
SCHEMBL21669283 0.81 HTR1A (0.67) HTR1ASLC6A4DRD3ABCB11ADRA2A
SCHEMBL7056301 0.80 HTR1A (0.63) HTR1ASLC6A4DRD3ABCB11ADRA2A
SCHEMBL11162686 0.80 SIGMAR1 (0.55) HTR1ADRD3SIGMAR1DRD2ALDH1A1
SCHEMBL13533257 0.79 HTR7 (0.61) HTR1ASLC6A4DRD3ABCB11ADRA2A
SCHEMBL2527416 0.79 HTR1A (0.66) HTR1ASLC6A4DRD3ABCB11ADRA2A
SCHEMBL5654034 0.79 HTR1A (0.66) HTR1ASLC6A4DRD3ABCB11ADRA2A
SCHEMBL2526228 0.79 HTR1A (0.66) HTR1ASLC6A4DRD3ABCB11ADRA2A
SCHEMBL11151874 0.79 SIGMAR1 (0.54) HTR1ADRD3SIGMAR1DRD2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6521623-B1 1-(2-(4-(3-chlorophenyl)-1-piperazinyl)ethyl)-3-(2-hydroxyethyl) -1,3-dihydro-2H-benzimidazol-2-one for example; treating anxiety disorders and psychological disorders, brain injuries BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-02-18 US claimed
US-20030027823-A1 N,N'-disubstituted benzimidazolone derivatives with affinity at the serotonin and dopamine receptors Salix Pharmaceuticals, Ltd 2003-02-06 US claimed
EP-1322622-B1 NEW N, N'-DISUBSTITUTED BENZIMIDAZOLONE DERIVATIVES WITH AFFINITY AT THE SEROTONIN AND DOPAMINE RECEPTORS SPROUT PHARMACEUTICALS INC (US) 2012-10-31 EP disclosed
US-6521623-B1 1-(2-(4-(3-chlorophenyl)-1-piperazinyl)ethyl)-3-(2-hydroxyethyl) -1,3-dihydro-2H-benzimidazol-2-one for example; treating anxiety disorders and psychological disorders, brain injuries BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-02-18 US disclosed
US-20030027823-A1 N,N'-disubstituted benzimidazolone derivatives with affinity at the serotonin and dopamine receptors Salix Pharmaceuticals, Ltd 2003-02-06 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 (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-20030027823-A1 N,N'-disubstituted benzimidazolone derivatives with affinity at the serotonin and dopamine receptors OPRM1, HTR2C, HTR3C HTR1A 5/4885SLC6A4 50/4885DRD3 17/4885

“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.