SCHEMBL10008024

SCHEMBL10008024

CCCN1CCN(C2CCN(C(=O)C(c3ccccc3)n3c(=O)n(S(=O)(=O)c4ccccc4)c4ccc(C#N)cc43)C2)CC1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 7/20 0.35
CCL5 P13501 1/20 0.35
CHRM1 P11229 1/20 0.34
DRD3 P35462 4/20 0.34
DRD2 P14416 2/20 0.33
HTR6 P50406 1/20 0.33
HSD11B1 P28845 1/20 0.32
SLC2A1 P11166 1/20 0.32
KDM2B Q8NHM5 2/20 0.32
MGLL Q99685 2/20 0.32
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

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
SCHEMBL641389 1.00 CCR5 (0.35) CCR5CCL5CHRM1DRD3DRD2
SCHEMBL640046 0.98 CCR5 (0.36) CCR5CCL5CHRM1DRD3HTR6
SCHEMBL640047 0.98 CCR5 (0.36) CCR5CCL5CHRM1DRD3HTR6
SCHEMBL641118 0.94 ALDH1A1 (0.40) CCR5CCL5MGLL
SCHEMBL641096 0.94 ALDH1A1 (0.40) CCR5CCL5MGLL
SCHEMBL641097 0.94 ALDH1A1 (0.40) CCR5CCL5MGLL
SCHEMBL639985 0.93 MEN1 (0.34) CCR5CCL5CHRM1HSD11B1
SCHEMBL639986 0.93 MEN1 (0.34) CCR5CCL5CHRM1HSD11B1
SCHEMBL640474 0.92 HRH2 (0.34) CCR5CCL5CHRM1KDM2BMGLL
SCHEMBL640475 0.92 HRH2 (0.34) CCR5CCL5CHRM1KDM2BMGLL

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 2 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20120172335-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE AVPR2, AVPR1B, AVPR1A CCR5 3327/4885CCL5 2597/4885CHRM1 112/4885

“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.