SCHEMBL3052860

SCHEMBL3052860

COc1cc(C)c(S(=O)(=O)Nc2ccc3ccn(CC(=O)N4CCC(OCCN5CCCC5)(c5cccnc5)CC4)c3c2)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 6/20 0.40
▸ OPRD1 P41143 1/20 0.36
▸ OPRK1 P41145 1/20 0.36
▸ DRD2 P14416 2/20 0.35
▸ DRD3 P35462 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ MCHR1 Q99705 2/20 0.34
▸ MCHR2 Q969V1 1/20 0.34
▸ PKLR P30613 1/20 0.33
▸ CHRNB4 P30926 1/20 0.33
▸ CHRNA3 P32297 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ NAMPT P43490 2/20 0.33
▸ BDKRB1 P46663 1/20 0.32
▸ ABL1 P00519 1/20 0.32
▸ BCR P11274 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
SCHEMBL3043143 0.87 ALDH1A1 (0.36) OPRD1OPRK1DRD2DRD3ALDH1A1
SCHEMBL3062814 0.80 HTR6 (0.46) HTR6OPRD1OPRK1BDKRB1
SCHEMBL3441919 0.76 BDKRB1 (0.60) BDKRB1
SCHEMBL3441591 0.76 BDKRB1 (0.59) BDKRB1
SCHEMBL3442143 0.74 BDKRB1 (0.48) ALDH1A1BDKRB1
SCHEMBL4297398 0.74 BDKRB1 (0.48) DRD2DRD3BDKRB1
SCHEMBL3441925 0.74 BDKRB1 (0.47) ALDH1A1BDKRB1
SCHEMBL4444695 0.73 MEN1 (0.44) OPRD1DRD2DRD3ALDH1A1SMN1; SMN2
SCHEMBL3441702 0.73 BDKRB1 (0.40) DRD2DRD3ALDH1A1NAMPTBDKRB1
SCHEMBL3441720 0.73 BDKRB1 (0.40) DRD2DRD3ALDH1A1NAMPTBDKRB1

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-8492559-B2 Substituted indole compounds GRUENENTHAL GMBH (DE) 2013-07-23 — — US claimed
US-20100222324-A1 Substituted Indole Compounds GRUENENTHAL GMBH (DE) 2010-09-02 — — US claimed
US-8492559-B2 Substituted indole compounds GRUENENTHAL GMBH (DE) 2013-07-23 — — US disclosed
US-20100222324-A1 Substituted Indole Compounds GRUENENTHAL GMBH (DE) 2010-09-02 — — 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-20100222324-A1 Substituted Indole Compounds BDKRB1, BDKRB2, EDNRB HTR6 103/4885OPRD1 33/4885OPRK1 16/4885

“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.

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