SCHEMBL5386502

SCHEMBL5386502

CC(CN1CCC(n2c(=O)[nH]c3ccccc32)CC1)C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 2/20 0.62
CHRM1 P11229 2/20 0.59
CHRM2 P08172 1/20 0.59
CHRM4 P08173 1/20 0.59
CHRM5 P08912 1/20 0.59
CHRM3 P20309 1/20 0.59
OPRL1 P41146 5/20 0.58
PLD1 Q13393 3/20 0.54
ALDH1A1 P00352 2/20 0.53
KDM4E B2RXH2 1/20 0.53
PMP22 Q01453 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
PLD2 O14939 2/20 0.53
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
HSD11B1 P28845 1/20 0.52
OPRM1 P35372 5/20 0.51
ADRB2 P07550 1/20 0.50
ADRB1 P08588 1/20 0.50
ADRB3 P13945 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
SCHEMBL2989677 0.88 CHRM1 (0.68) CCR5CHRM1CHRM2CHRM4CHRM5
SCHEMBL5386992 0.84 CCR5 (0.69) CCR5CHRM1CHRM2CHRM4CHRM5
SCHEMBL6580262 0.84 CHRM1 (0.76) CCR5CHRM1CHRM2CHRM4CHRM5
SCHEMBL5386538 0.82 CCR5 (0.57) CCR5CHRM1CHRM2CHRM4CHRM5
SCHEMBL5956482 0.82 CCR5 (0.60) CCR5CHRM1CHRM2CHRM4CHRM5
SCHEMBL5388719 0.81 CCR5 (0.65) CCR5CHRM1CHRM2CHRM4CHRM5
SCHEMBL5379362 0.81 CCR5 (0.65) CCR5CHRM1CHRM2CHRM4CHRM5
SCHEMBL5388715 0.81 CCR5 (0.65) CCR5CHRM1CHRM2CHRM4CHRM5
SCHEMBL5379042 0.81 PLD1 (0.63) CHRM1OPRL1PLD1ALDH1A1KDM4E
SCHEMBL5379838 0.80 CCR5 (0.62) CCR5CHRM1CHRM2CHRM4CHRM5

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7164024-B2 Muscarinic acetylcholine receptor antagonist; Parkinson's disease; dystonia; analgesics; irritable bowel syndrome BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-01-16 US disclosed
US-20040147506-A1 Benzimidazolone derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-07-29 US disclosed
EP-1386920-A1 BENZIMIDAZOLONE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-02-04 EP 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-20040147506-A1 Benzimidazolone derivatives HRH2, CCKAR, HRH4 CCR5 42/4885CHRM1 4/4885CHRM2 10/4885

“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.