SCHEMBL640270

SCHEMBL640270

CCCN1CCN(C2CCN(C(=O)C(c3ccccc3)n3c(=O)n(S(=O)(=O)c4ccc(OC)cc4OC)c4ccc(C#N)cc43)C2)CC1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPK1 P28482 1/20 0.35
MGLL Q99685 1/20 0.34
CCL5 P13501 1/20 0.34
CCR5 P51681 1/20 0.34
OPRM1 P35372 5/20 0.33
OPRL1 P41146 5/20 0.33
AVPR1B P47901 4/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NPC1 O15118 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
AVPR1A P37288 1/20 0.33
AKR1C3 P42330 1/20 0.33
OPRD1 P41143 1/20 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
SCHEMBL640269 1.00 CHRM2 (0.35) CHRM2ALDH1A1MAPK1MGLLCCL5
SCHEMBL641987 0.94 PAX8 (0.35) MGLLCCL5CCR5TDP1AKR1C3
SCHEMBL640693 0.94 PAX8 (0.35) MGLLCCL5CCR5TDP1AKR1C3
SCHEMBL641096 0.91 ALDH1A1 (0.40) CHRM2ALDH1A1MGLLCCL5CCR5
SCHEMBL641118 0.91 ALDH1A1 (0.40) CHRM2ALDH1A1MGLLCCL5CCR5
SCHEMBL641097 0.91 ALDH1A1 (0.40) CHRM2ALDH1A1MGLLCCL5CCR5
SCHEMBL640967 0.88 AVPR1B (0.37) CHRM2ALDH1A1MAPK1MGLLAVPR1B
SCHEMBL641389 0.88 CCR5 (0.35) MGLLCCL5CCR5
SCHEMBL10008024 0.88 CCR5 (0.35) MGLLCCL5CCR5
SCHEMBL639813 0.88 ALDH1A1 (0.39) CHRM2ALDH1A1MGLLCCR5

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 CHRM2 195/4885ALDH1A1 586/4885MAPK1 2454/4885
US-20120172335-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE AVPR2, AVPR1B, AVPR1A CHRM2 195/4885ALDH1A1 586/4885MAPK1 2454/4885

“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.