SCHEMBL640105

SCHEMBL640105

CCCN1CCN(C2CCN(C(=O)C(c3cccc(OC)c3)n3c(=O)[nH]c4ccc(Cl)cc43)C2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.42
DRD3 P35462 4/20 0.42
SLC6A4 P31645 2/20 0.42
HTR1A P08908 1/20 0.42
ADRA2A P08913 1/20 0.42
HTR2A P28223 1/20 0.42
CBX7 O95931 1/20 0.41
CDYL2 Q8N8U2 1/20 0.41
CDYL Q9Y232 1/20 0.41
CDY1; CDY1B Q9Y6F8 1/20 0.41
HSD11B1 P28845 2/20 0.40
OPRM1 P35372 5/20 0.39
OPRL1 P41146 2/20 0.39
CHRM1 P11229 3/20 0.36
OPRD1 P41143 2/20 0.36
KDM2B Q8NHM5 1/20 0.36
OPRK1 P41145 1/20 0.36
DRD4 P21917 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL639917 0.92 DRD2 (0.43) DRD2DRD3SLC6A4HTR1AADRA2A
SCHEMBL639583 0.87 DRD2 (0.43) DRD2DRD3SLC6A4HTR1AADRA2A
SCHEMBL641604 0.86 CBX7 (0.43) CBX7CDYL2CDYLCDY1; CDY1BHSD11B1
SCHEMBL642360 0.86 DRD2 (0.47) DRD2DRD3SLC6A4HTR1AADRA2A
SCHEMBL640560 0.84 DRD2 (0.52) DRD2DRD3SLC6A4HTR1AADRA2A
SCHEMBL639738 0.83 DRD2 (0.49) DRD2DRD3SLC6A4HTR1AADRA2A
SCHEMBL641329 0.82 ALDH1A1 (0.39) DRD2SLC6A4MEN1KMT2A
SCHEMBL639709 0.81 KDM4E (0.40) DRD2DRD3SLC6A4HTR1AADRA2A
SCHEMBL641078 0.80 MDM2 (0.46) DRD2DRD3SLC6A4HTR1AADRA2A
SCHEMBL639980 0.79 KDM4E (0.39) DRD2DRD3SLC6A4HTR1AADRA2A

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-8791148-B2 Substituted benzimidazolone derivatives, medicaments comprising them and their use AbbVie Deutschland GmbH & Co. KG (DE) 2014-07-29 US disclosed
US-20120172335-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2012-07-05 US disclosed
US-8119676-B2 Substituted benzimidazolone derivatives, medicaments comprising them and their use Abbott GmbH & Co. HG (DE) 2012-02-21 US disclosed
US-20100152168-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE ABBOTT GMBH & CO. KG (DE) 2010-06-17 US disclosed
EP-2061769-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE Abbott GmbH & Co. KG (DE) 2009-05-27 EP disclosed
WO-2008025736-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE ABBOTT GMBH & CO. KG (DE) 2008-03-06 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-20100152168-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE AVPR2, AVPR1B, AVPR1A DRD2 519/4885DRD3 473/4885SLC6A4 644/4885
US-20120172335-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE AVPR2, AVPR1B, AVPR1A DRD2 519/4885DRD3 473/4885SLC6A4 644/4885

“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.