SCHEMBL3049716

SCHEMBL3049716

COc1cc(C)c(S(=O)(=O)Nc2cccc3ccn(CCC(=O)NCCN4CCC(c5cccs5)(N(C)C)CC4)c23)c(C)c1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PTGER3 P43115 2/20 0.34
▸ POLB P06746 1/20 0.33
▸ KMT2A Q03164 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ MTNR1A P48039 1/20 0.32
▸ MTNR1B P49286 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ OPRK1 P41145 1/20 0.32
▸ BDKRB1 P46663 2/20 0.32
▸ PKM P14618 2/20 0.31
▸ HPGD P15428 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ AVPR1B P47901 1/20 0.31
▸ OPRM1 P35372 1/20 0.31
▸ OPRL1 P41146 1/20 0.31

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
SCHEMBL3057242 0.89 BDKRB1 (0.34) PTGER3BDKRB1AVPR1BOPRM1OPRL1
SCHEMBL3050887 0.87 MTNR1A (0.40) POLBKMT2AMEN1MTNR1AMTNR1B
SCHEMBL3057672 0.86 MAPK1 (0.33) ALDH1A1MAPTOPRM1OPRL1
SCHEMBL3052400 0.85 BDKRB1 (0.35) PTGER3BDKRB1AVPR1BOPRM1OPRL1
SCHEMBL3053591 0.80 KDM4E (0.41) POLBKMT2AMEN1ALDH1A1MAPT
SCHEMBL3052564 0.78 OPRD1 (0.38) MAPTOPRK1BDKRB1HSD17B10OPRM1
SCHEMBL3047591 0.78 AVPR1B (0.37) MAPTOPRK1BDKRB1AVPR1BOPRM1
SCHEMBL13139533 0.77 GAA (0.40) PTGER3KMT2AMEN1ALDH1A1MAPT
SCHEMBL3060341 0.75 BDKRB1 (0.53) BDKRB1AVPR1B
SCHEMBL3065418 0.75 GAA (0.40) PTGER3POLBKMT2AMEN1ALDH1A1

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 PTGER3 329/4885POLB 3754/4885KMT2A 2512/4885

“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.

Send feedback