Sugi Predict

Sugi Predict / Compounds / SCHEMBL641680

SCHEMBL641680

SCHEMBL641680

CCN1CCN(CC2CCN(C(=O)C(c3ccccc3)n3c(=O)n(S(=O)(=O)c4ccc(OC)cc4)c4ccc(C#N)cc43)C2)CC1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CHRM5 P08912 2/20 0.39
▸ MGLL Q99685 2/20 0.37
▸ CCR6 P51684 2/20 0.37
▸ HCRTR1 O43613 1/20 0.36
▸ HCRTR2 O43614 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ HTR6 P50406 2/20 0.35
▸ PRMT5 O14744 1/20 0.34
▸ WDR77 Q9BQA1 1/20 0.34
▸ TRPV4 Q9HBA0 1/20 0.34
▸ CCR5 P51681 1/20 0.34
▸ PRKAB2 O43741 1/20 0.33
▸ PRKAG1 P54619 1/20 0.33
▸ PRKAA2 P54646 1/20 0.33
▸ PRKAA1 Q13131 1/20 0.33
▸ PRKAG3 Q9UGI9 1/20 0.33
▸ PRKAG2 Q9UGJ0 1/20 0.33
▸ PRKAB1 Q9Y478 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
SCHEMBL641678 1.00 CHRM5 (0.39) CHRM5MGLLCCR6HCRTR1HCRTR2
SCHEMBL641679 1.00 CHRM5 (0.39) CHRM5MGLLCCR6HCRTR1HCRTR2
SCHEMBL641888 0.95 CHRM5 (0.38) CHRM5MGLLCCR6HCRTR1HCRTR2
SCHEMBL641887 0.95 CHRM5 (0.38) CHRM5MGLLCCR6HCRTR1HCRTR2
SCHEMBL641889 0.95 CHRM5 (0.38) CHRM5MGLLCCR6HCRTR1HCRTR2
SCHEMBL641573 0.95 CHRM5 (0.37) CHRM5MGLLCCR6HCRTR1HCRTR2
SCHEMBL641572 0.95 CHRM5 (0.37) CHRM5MGLLCCR6HCRTR1HCRTR2
SCHEMBL641574 0.95 CHRM5 (0.37) CHRM5MGLLCCR6HCRTR1HCRTR2
SCHEMBL642111 0.93 CHRM5 (0.38) CHRM5MGLLCCR6HCRTR1HCRTR2
SCHEMBL640055 0.93 ALDH1A1 (0.42) ALDH1A1PRMT5WDR77PRKAB2PRKAG1

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 CHRM5 702/4885MGLL 3620/4885CCR6 4653/4885
US-20120172335-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE AVPR2, AVPR1B, AVPR1A CHRM5 702/4885MGLL 3620/4885CCR6 4653/4885

“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.