SCHEMBL641096

SCHEMBL641096

CCCN1CCN([C@H]2CCN(C(=O)C(c3ccccc3)n3c(=O)n(S(=O)(=O)c4ccc(OC)cc4)c4ccc(C#N)cc43)C2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 3/20 0.40
CHRM5 P08912 1/20 0.37
MGLL Q99685 1/20 0.36
CCR5 P51681 3/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
CCR6 P51684 1/20 0.34
ACHE P22303 1/20 0.34
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
HRH2 P25021 1/20 0.33
HRH1 P35367 1/20 0.33
CHRM2 P08172 1/20 0.33
P2RX7 Q99572 1/20 0.33
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL641097 1.00 ALDH1A1 (0.40) ALDH1A1KDM4ECHRM5MGLLCCR5
SCHEMBL641118 1.00 ALDH1A1 (0.40) ALDH1A1KDM4ECHRM5MGLLCCR5
SCHEMBL639813 0.96 ALDH1A1 (0.39) ALDH1A1KDM4ECHRM5MGLLCCR5
SCHEMBL10008442 0.96 ALDH1A1 (0.39) ALDH1A1KDM4ECHRM5MGLLCCR5
SCHEMBL640216 0.96 ALDH1A1 (0.39) ALDH1A1KDM4ECHRM5MGLLCCR5
SCHEMBL640754 0.95 ALDH1A1 (0.40) ALDH1A1KDM4ECHRM5MGLLHCRTR1
SCHEMBL641619 0.95 ALDH1A1 (0.40) ALDH1A1KDM4ECHRM5MGLLHCRTR1
SCHEMBL640753 0.95 ALDH1A1 (0.40) ALDH1A1KDM4ECHRM5MGLLHCRTR1
SCHEMBL640047 0.95 CCR5 (0.36) ALDH1A1KDM4EMGLLCCR5HRH2
SCHEMBL640046 0.95 CCR5 (0.36) ALDH1A1KDM4EMGLLCCR5HRH2

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 ALDH1A1 586/4885KDM4E 4508/4885CHRM5 702/4885
US-20120172335-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE AVPR2, AVPR1B, AVPR1A ALDH1A1 586/4885KDM4E 4508/4885CHRM5 702/4885

“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.