SCHEMBL5374812

SCHEMBL5374812

Cc1ccc2[nH]c(=O)n(C3CCN(CCCC(=O)c4cc(Br)c(N)c(Br)c4)CC3)c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 6/20 0.55
OPRK1 P41145 4/20 0.55
CHRM2 P08172 4/20 0.55
ADRA1A P35348 3/20 0.55
CHRM3 P20309 3/20 0.55
KCNH2 Q12809 2/20 0.55
CYP2D6 P10635 2/20 0.55
DRD2 P14416 2/20 0.55
DRD1 P21728 2/20 0.55
DRD4 P21917 2/20 0.55
DRD3 P35462 2/20 0.55
MLNR O43193 1/20 0.55
LMNA P02545 1/20 0.55
PGR P06401 1/20 0.55
ADRB2 P07550 1/20 0.55
ADRB1 P08588 1/20 0.55
HTR1A P08908 1/20 0.55
ADRA2A P08913 1/20 0.55
GABRA1 P14867 1/20 0.55
ADRA2B P18089 1/20 0.55

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
SCHEMBL5374780 0.93 HTR1A (0.55) CHRM1OPRK1CHRM2ADRA1ACHRM3
SCHEMBL5369487 0.88 CHRM1 (0.70) CHRM1OPRK1CHRM2ADRA1ACHRM3
Hydrochloric Acid SCHEMBL5366218 0.88 CHRM1 (0.69) CHRM1OPRK1CHRM2ADRA1ACHRM3
SCHEMBL5387468 0.86 DRD2 (0.57) CHRM1OPRK1CHRM2ADRA1ACHRM3
SCHEMBL5376350 0.82 DRD2 (0.51) CHRM1OPRK1CHRM2ADRA1ACHRM3
SCHEMBL5373097 0.81 DRD2 (0.52) CHRM1OPRK1CHRM2ADRA1ACHRM3
SCHEMBL5369819 0.81 SIRT2 (0.52) CHRM1OPRK1CHRM2ADRA1ACHRM3
SCHEMBL17565773 0.79 CYP2D6 (0.82) CHRM1OPRK1CHRM2ADRA1ACHRM3
SCHEMBL5371815 0.78 DRD2 (0.49) CHRM1OPRK1CHRM2ADRA1ACHRM3
SCHEMBL2615379 0.77 KCNH2 (0.82) CHRM1OPRK1CHRM2ADRA1ACHRM3

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-20070208036-A1 Arylalkanes, arylalkenes and aryl-azaalkanes, pharmaceutical compositions containing these compounds and processes for preparing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-09-06 US disclosed
US-7230001-B1 Arylalkane, arylalkene and aryl azaalkane, medicaments containing said compounds and method for the production thereof BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-06-12 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-20070208036-A1 Arylalkanes, arylalkenes and aryl-azaalkanes, pharmaceutical compositions containing these compounds and processes for preparing them ARRB1, NPY1R, ADRB3 CHRM1 67/4885OPRK1 35/4885CHRM2 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.