SCHEMBL4857565

SCHEMBL4857565

COc1cccc(C(=O)N2CCC(c3cn(Cc4ccc(C(F)(F)F)cc4)c4ccccc34)C2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
NCOR2 Q9Y618 1/20 0.46
PRKAB2 O43741 1/20 0.45
PRKAG1 P54619 1/20 0.45
PRKAA2 P54646 1/20 0.45
PRKAA1 Q13131 1/20 0.45
PRKAG3 Q9UGI9 1/20 0.45
PRKAG2 Q9UGJ0 1/20 0.45
PRKAB1 Q9Y478 1/20 0.45
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
KMT2A Q03164 2/20 0.45
SLC2A1 P11166 1/20 0.44
SLC5A1 P13866 1/20 0.43
SLC5A2 P31639 1/20 0.43

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
SCHEMBL5204227 0.89 SLC2A1 (0.46) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL4853030 0.85 HDAC3 (0.46) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL5204138 0.84 MGLL (0.49) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL4862016 0.84 SLC5A1 (0.49) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL5203686 0.84 SLC5A1 (0.49) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL5202293 0.82 THRB (0.49) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL5204238 0.82 HSD11B1 (0.47) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL5202048 0.81 SLC2A1 (0.44) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL4854494 0.81 HRH2 (0.46) KDM4EALDH1A1KMT2ALMNAHTR2A
SCHEMBL5201977 0.80 SLC2A1 (0.46) HDAC3HDAC1HDAC2HDAC10HDAC8

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7368470-B2 Substituted 3-pyrrolidine-indole derivatives GRUENENTHAL GMBH (DE) 2008-05-06 US claimed
EP-1654253-B1 SUBSTITUTED 3-PYRROLIDIN-INDOLE DERIVATIVES GRUENENTHAL GMBH (DE) 2007-01-03 EP claimed
US-20050096376-A1 Substituted 3-pyrrolidine-indole derivatives GRUENENTHAL GMBH (DE) 2005-05-05 US claimed
US-7368470-B2 Substituted 3-pyrrolidine-indole derivatives GRUENENTHAL GMBH (DE) 2008-05-06 US disclosed
EP-1654253-B1 SUBSTITUTED 3-PYRROLIDIN-INDOLE DERIVATIVES GRUENENTHAL GMBH (DE) 2007-01-03 EP disclosed
US-20050096376-A1 Substituted 3-pyrrolidine-indole derivatives GRUENENTHAL GMBH (DE) 2005-05-05 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-20050096376-A1 Substituted 3-pyrrolidine-indole derivatives OPRD1, OPRK1, TPH1 HDAC3 171/4885HDAC1 877/4885HDAC2 552/4885

“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.