Sugi Predict

Sugi Predict / Compounds / SCHEMBL639633

SCHEMBL639633

SCHEMBL639633

COc1ccccc1C(C(=O)N1CCN(C2CCN(C)CC2)CC1)n1c(=O)n(S(=O)(=O)c2ccc(C#N)cc2)c2ccc(Cl)cc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 5/20 0.36
▸ CYP3A4 P08684 2/20 0.35
▸ CYP2D6 P10635 2/20 0.35
▸ TRPV4 Q9HBA0 1/20 0.35
▸ DRD2 P14416 4/20 0.34
▸ DRD1 P21728 2/20 0.34
▸ ADRA1B P35368 3/20 0.34
▸ HSD11B1 P28845 1/20 0.34
▸ SLC6A2 P23975 1/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ HTR2C P28335 1/20 0.34
▸ SLC6A4 P31645 1/20 0.34
▸ HTR7 P34969 1/20 0.34
▸ HRH1 P35367 1/20 0.34
▸ SLC6A3 Q01959 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ ADRA1D P25100 2/20 0.34
▸ ADRA1A P35348 2/20 0.34
▸ GAA P10253 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
SCHEMBL638516 0.92 KDM4E (0.42) HTR6CYP3A4CYP2D6KDM4EGAA
SCHEMBL639744 0.90 F10 (0.37) DRD2DRD1KCNH2KDM4EPSEN1
SCHEMBL639855 0.88 MGLL (0.35) HTR6KDM4EF10ALDH1A1
SCHEMBL641706 0.87 F10 (0.37) DRD2DRD1KCNH2KDM4EPSEN1
SCHEMBL639968 0.87 USP5 (0.37) DRD2DRD1KDM4EPSEN1PSEN2
SCHEMBL640137 0.85 KMT2A (0.38) DRD2ADRA1BHSD11B1HRH1KDM4E
SCHEMBL641447 0.84 AVPR1B (0.38) CYP3A4KCNH2F10
SCHEMBL642721 0.84 F10 (0.39) HTR6F10
SCHEMBL642038 0.83 ALDH1A1 (0.43) CYP2D6KDM4EGAAF10ALDH1A1
SCHEMBL640256 0.83 ALDH1A1 (0.40) CYP2D6KDM4EGAAF10ALDH1A1

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 HTR6 826/4885CYP3A4 2218/4885CYP2D6 1280/4885
US-20120172335-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE AVPR2, AVPR1B, AVPR1A HTR6 826/4885CYP3A4 2218/4885CYP2D6 1280/4885

“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.