SCHEMBL3053591

SCHEMBL3053591

CCN1CCN(CCCNC(=O)CCn2ccc3cccc(NS(=O)(=O)c4c(C)cc(OC)cc4C)c32)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.41
▸ HTT P42858 1/20 0.41
▸ MAPT P10636 2/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ KMT2A Q03164 5/20 0.39
▸ MEN1 O00255 4/20 0.39
▸ GFER P55789 1/20 0.39
▸ ACHE P22303 1/20 0.39
▸ TP53 P04637 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ OPRK1 P41145 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ GBA1 P04062 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ GLA P06280 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ OPRM1 P35372 1/20 0.37

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
SCHEMBL3060341 0.83 BDKRB1 (0.53) ACHE
SCHEMBL13139533 0.81 GAA (0.40) HTTMAPTKMT2AMEN1TP53
SCHEMBL3065418 0.81 GAA (0.40) HTTMAPTKMT2AMEN1TP53
SCHEMBL3049716 0.80 PTGER3 (0.34) MAPTKMT2AMEN1POLBOPRK1
SCHEMBL3059843 0.79 BDKRB1 (0.39) KMT2AMEN1GFERPOLB
SCHEMBL3051543 0.78 BDKRB1 (0.52) KMT2AMEN1
SCHEMBL3055551 0.76 BDKRB1 (0.41) —
SCHEMBL3061729 0.76 BDKRB1 (0.51) KDM4EKMT2AMEN1ALDH1A1HSD17B10
SCHEMBL3047576 0.76 KMT2A (0.41) KDM4EHTTMAPTKMT2AMEN1
SCHEMBL3047591 0.75 AVPR1B (0.37) KDM4EMAPTNPSR1OPRK1OPRM1

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 KDM4E 3034/4885HTT 1159/4885MAPT 1511/4885

“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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