SCHEMBL642415

SCHEMBL642415

CCN1CCN(C2CCCN(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 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 3/20 0.40
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
CHRM5 P08912 1/20 0.37
CCR6 P51684 1/20 0.36
ACHE P22303 1/20 0.35
CHRM1 P11229 3/20 0.35
CHRM2 P08172 2/20 0.35
CHRM4 P08173 1/20 0.35
CHRM3 P20309 1/20 0.35
TSHR P16473 1/20 0.35
MGLL Q99685 1/20 0.34
GAA P10253 1/20 0.34
HTR6 P50406 1/20 0.34

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
SCHEMBL642414 1.00 ALDH1A1 (0.40) ALDH1A1KDM4EHCRTR1HCRTR2CHRM5
SCHEMBL640754 0.96 ALDH1A1 (0.40) ALDH1A1KDM4EHCRTR1HCRTR2CHRM5
SCHEMBL640753 0.96 ALDH1A1 (0.40) ALDH1A1KDM4EHCRTR1HCRTR2CHRM5
SCHEMBL641619 0.96 ALDH1A1 (0.40) ALDH1A1KDM4EHCRTR1HCRTR2CHRM5
SCHEMBL639813 0.95 ALDH1A1 (0.39) ALDH1A1KDM4EHCRTR1HCRTR2CHRM5
SCHEMBL640216 0.95 ALDH1A1 (0.39) ALDH1A1KDM4EHCRTR1HCRTR2CHRM5
SCHEMBL10008442 0.95 ALDH1A1 (0.39) ALDH1A1KDM4EHCRTR1HCRTR2CHRM5
SCHEMBL642091 0.94 ALDH1A1 (0.48) ALDH1A1KDM4EHCRTR1HCRTR2CHRM1
SCHEMBL642090 0.94 ALDH1A1 (0.48) ALDH1A1KDM4EHCRTR1HCRTR2CHRM1
SCHEMBL640235 0.93 ALDH1A1 (0.40) ALDH1A1KDM4EHCRTR1HCRTR2CHRM5

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 4 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

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 4508/4885HCRTR1 951/4885
US-20120172335-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE AVPR2, AVPR1B, AVPR1A ALDH1A1 586/4885KDM4E 4508/4885HCRTR1 951/4885

“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.