SCHEMBL3057242

SCHEMBL3057242

COc1cc(C)c(S(=O)(=O)Nc2cccc3ccn(CCC(=O)N(C)CCCN4CCC(c5cccs5)(N(C)C)CC4)c23)c(C)c1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ BDKRB1 P46663 3/20 0.34
▸ AVPR1B P47901 1/20 0.34
▸ PTGER3 P43115 2/20 0.34
▸ AVPR1A P37288 1/20 0.33
▸ OPRM1 P35372 1/20 0.33
▸ OPRL1 P41146 1/20 0.33
▸ SIGMAR1 Q99720 1/20 0.30
▸ HTR2A P28223 1/20 0.30
▸ HTR2C P28335 1/20 0.30
▸ HTR2B P41595 1/20 0.30

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
SCHEMBL3052400 0.94 BDKRB1 (0.35) BDKRB1AVPR1BPTGER3AVPR1AOPRM1
SCHEMBL3047591 0.90 AVPR1B (0.37) BDKRB1AVPR1BAVPR1AOPRM1OPRL1
SCHEMBL3049716 0.89 PTGER3 (0.34) BDKRB1AVPR1BPTGER3OPRM1OPRL1
SCHEMBL3060341 0.78 BDKRB1 (0.53) BDKRB1AVPR1BAVPR1ASIGMAR1
SCHEMBL3052539 0.77 BDKRB1 (0.38) BDKRB1AVPR1BHTR2AHTR2C
SCHEMBL3052564 0.77 OPRD1 (0.38) BDKRB1OPRM1OPRL1
SCHEMBL3050887 0.76 MTNR1A (0.40) —
SCHEMBL13139533 0.76 GAA (0.40) PTGER3
SCHEMBL3062326 0.75 BDKRB1 (0.33) BDKRB1AVPR1BAVPR1ASIGMAR1
SCHEMBL3057672 0.74 MAPK1 (0.33) OPRM1OPRL1

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-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

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 BDKRB1 1/4885AVPR1B 21/4885PTGER3 329/4885

“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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