SCHEMBL639980

SCHEMBL639980

CCCN1CCN([C@H]2CCN(C(=O)C(c3ccccc3)n3c(=O)[nH]c4ccc(C#N)cc43)C2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PMP22 Q01453 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD11B1 P28845 1/20 0.38
OPRM1 P35372 2/20 0.37
CHRM1 P11229 3/20 0.37
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM3 P20309 1/20 0.37
P2RX7 Q99572 1/20 0.37
TNKS O95271 1/20 0.36
PARP1 P09874 1/20 0.36
PARP2 Q9UGN5 1/20 0.36
PLD1 Q13393 3/20 0.36
PLD2 O14939 2/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CCR5 P51681 3/20 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
SCHEMBL639981 1.00 KDM4E (0.39) KDM4EALDH1A1PMP22NPSR1HSD11B1
SCHEMBL642089 0.90 OPRM1 (0.47) HSD11B1OPRM1CHRM1CHRM3TNKS
SCHEMBL642088 0.90 OPRM1 (0.47) HSD11B1OPRM1CHRM1CHRM3TNKS
SCHEMBL639709 0.88 KDM4E (0.40) KDM4EALDH1A1PMP22NPSR1OPRM1
SCHEMBL641143 0.85 F10 (0.44) HSD11B1OPRM1CHRM1CHRM2CHRM4
SCHEMBL640560 0.84 DRD2 (0.52) PMP22OPRM1CHRM1PLD1PLD2
SCHEMBL642360 0.83 DRD2 (0.47) KDM4EALDH1A1PMP22NPSR1OPRM1
SCHEMBL641389 0.82 CCR5 (0.35) HSD11B1CHRM1CCR5DRD2DRD3
SCHEMBL10008024 0.82 CCR5 (0.35) HSD11B1CHRM1CCR5DRD2DRD3
SCHEMBL640047 0.81 CCR5 (0.36) KDM4EALDH1A1HSD11B1CHRM1CCR5

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 KDM4E 4508/4885ALDH1A1 586/4885PMP22 2420/4885
US-20120172335-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE AVPR2, AVPR1B, AVPR1A KDM4E 4508/4885ALDH1A1 586/4885PMP22 2420/4885

“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.