SCHEMBL641990

SCHEMBL641990

O=C(O)N1CCCC(N2CCN(Cc3ccccc3)CC2)C1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.56
WDR77 Q9BQA1 1/20 0.56
ALDH1A1 P00352 7/20 0.56
KDM4E B2RXH2 5/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
TSHR P16473 1/20 0.54
HRH3 Q9Y5N1 1/20 0.53
HPGD P15428 1/20 0.52
RECQL P46063 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CHRM1 P11229 1/20 0.51
ACHE P22303 1/20 0.51
DPP7 Q9UHL4 1/20 0.50

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
SCHEMBL639999 0.92 ACHE (0.56) ALDH1A1KDM4EMEN1KMT2ATSHR
SCHEMBL640904 0.92 ACHE (0.56) ALDH1A1KDM4EMEN1KMT2ATSHR
SCHEMBL641232 0.92 ACHE (0.56) ALDH1A1KDM4EMEN1KMT2ATSHR
SCHEMBL642022 0.88 SIGMAR1 (0.55) ALDH1A1KDM4EMEN1KMT2ATSHR
SCHEMBL3594265 0.87 ALDH1A1 (0.56) ALDH1A1KDM4EMEN1KMT2AHRH3
SCHEMBL4464843 0.83 ACHE (0.62) ALDH1A1KDM4EMEN1KMT2ATSHR
SCHEMBL23225374 0.82 ALDH1A1 (0.58) ALDH1A1KDM4EMEN1KMT2ATSHR
SCHEMBL21216229 0.82 ALDH1A1 (0.58) ALDH1A1KDM4EMEN1KMT2ATSHR
SCHEMBL3595224 0.82 CCR2 (0.55) ALDH1A1KDM4EMEN1KMT2ATSHR
SCHEMBL3595227 0.82 CCR2 (0.55) ALDH1A1KDM4EMEN1KMT2ATSHR

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 PRMT5 855/4885WDR77 3070/4885ALDH1A1 586/4885
US-20120172335-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE AVPR2, AVPR1B, AVPR1A PRMT5 855/4885WDR77 3070/4885ALDH1A1 586/4885

“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.