Sugi Predict

Sugi Predict / Compounds / SCHEMBL640717

SCHEMBL640717

SCHEMBL640717

CCCN1CCN(C2CCN(C(=O)C(c3ccccc3)n3c(=O)n(S(=O)(=O)c4ccc(OCCF)cc4)c4ccc(C#N)cc43)C2)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH2 P25021 7/20 0.37
▸ HRH1 P35367 7/20 0.37
▸ KCNA5 P22460 1/20 0.34
▸ CASP3 P42574 2/20 0.34
▸ CASP7 P55210 2/20 0.34
▸ CASP6 P55212 2/20 0.34
▸ CASP1 P29466 1/20 0.34
▸ CCR5 P51681 2/20 0.33
▸ PSEN1 P49768 1/20 0.32
▸ PSEN2 P49810 1/20 0.32
▸ APH1B Q8WW43 1/20 0.32
▸ NCSTN Q92542 1/20 0.32
▸ APH1A Q96BI3 1/20 0.32
▸ PSENEN Q9NZ42 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ ACHE P22303 1/20 0.32
▸ HRH3 Q9Y5N1 1/20 0.32
▸ PTGDR2 Q9Y5Y4 1/20 0.32
▸ MEN1 O00255 2/20 0.32

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
SCHEMBL640716 1.00 HRH2 (0.37) HRH2HRH1KCNA5CASP3CASP7
SCHEMBL640475 0.93 HRH2 (0.34) HRH2HRH1KCNA5CCR5PSEN1
SCHEMBL640474 0.93 HRH2 (0.34) HRH2HRH1KCNA5CCR5PSEN1
SCHEMBL641097 0.93 ALDH1A1 (0.40) HRH2HRH1CCR5KDM4EALDH1A1
SCHEMBL641096 0.93 ALDH1A1 (0.40) HRH2HRH1CCR5KDM4EALDH1A1
SCHEMBL641118 0.93 ALDH1A1 (0.40) HRH2HRH1CCR5KDM4EALDH1A1
SCHEMBL640046 0.92 CCR5 (0.36) HRH2HRH1CCR5PSEN1PSEN2
SCHEMBL640047 0.92 CCR5 (0.36) HRH2HRH1CCR5PSEN1PSEN2
SCHEMBL640941 0.92 CCR5 (0.34) HRH2HRH1CCR5KDM4EALDH1A1
SCHEMBL640942 0.92 CCR5 (0.34) HRH2HRH1CCR5KDM4EALDH1A1

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 HRH2 73/4885HRH1 94/4885KCNA5 500/4885
US-20120172335-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE AVPR2, AVPR1B, AVPR1A HRH2 73/4885HRH1 94/4885KCNA5 500/4885

“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.