Sugi Predict

Sugi Predict / Compounds / SCHEMBL641078

SCHEMBL641078

SCHEMBL641078

CCCN1CCN(C2CCN(C(=O)C(Cc3ccccc3)n3c(=O)[nH]c4ccc(Cl)cc43)C2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MDM2 Q00987 4/20 0.46
▸ DRD2 P14416 3/20 0.45
▸ SLC6A4 P31645 3/20 0.45
▸ HTR1A P08908 2/20 0.45
▸ ADRA2A P08913 2/20 0.45
▸ HTR2A P28223 2/20 0.45
▸ DRD3 P35462 2/20 0.45
▸ CHRM1 P11229 4/20 0.42
▸ CALCRL Q16602 1/20 0.40
▸ USP2 O75604 2/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ CYP2D6 P10635 2/20 0.40
▸ TSHR P16473 1/20 0.40
▸ PMP22 Q01453 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ OPRM1 P35372 3/20 0.39
▸ MEN1 O00255 1/20 0.39

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
SCHEMBL639738 0.86 DRD2 (0.49) DRD2SLC6A4HTR1AADRA2AHTR2A
SCHEMBL639583 0.83 DRD2 (0.43) DRD2SLC6A4HTR1AADRA2AHTR2A
SCHEMBL642360 0.83 DRD2 (0.47) DRD2SLC6A4HTR1AADRA2AHTR2A
SCHEMBL640560 0.81 DRD2 (0.52) MDM2DRD2SLC6A4HTR1AADRA2A
SCHEMBL639917 0.80 DRD2 (0.43) DRD2SLC6A4HTR1AADRA2AHTR2A
SCHEMBL640105 0.80 DRD2 (0.42) DRD2SLC6A4HTR1AADRA2AHTR2A
SCHEMBL639709 0.78 KDM4E (0.40) DRD2SLC6A4HTR1AADRA2AHTR2A
SCHEMBL641519 0.78 ALDH1A1 (0.45) DRD2SLC6A4CHRM1TSHRKDM4E
SCHEMBL639980 0.76 KDM4E (0.39) DRD2SLC6A4HTR1AADRA2AHTR2A
SCHEMBL639981 0.76 KDM4E (0.39) DRD2SLC6A4HTR1AADRA2AHTR2A

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 MDM2 1402/4885DRD2 519/4885SLC6A4 644/4885
US-20120172335-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE AVPR2, AVPR1B, AVPR1A MDM2 1402/4885DRD2 519/4885SLC6A4 644/4885

“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.