SCHEMBL4859672

SCHEMBL4859672

Cn1cc(C2CCN(C(=O)c3cccnc3Cl)C2)c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 6/20 0.52
CYP2C19 P33261 1/20 0.48
SPR P35270 2/20 0.45
POLB P06746 2/20 0.43
TPSAB1 Q15661 1/20 0.43
GFER P55789 2/20 0.43
PROKR1 Q8TCW9 2/20 0.42
HCRTR1 O43613 1/20 0.42
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
SCN9A Q15858 1/20 0.40

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
SCHEMBL5203887 0.87 ALDH1A1 (0.52) HSD11B1SPRPOLBTPSAB1GFER
SCHEMBL5457049 0.81 HRH2 (0.42) CYP2C19TPSAB1GFERPROKR1DRD2
SCHEMBL5205864 0.80 RORC (0.46) HSD11B1SPRDRD2DRD3
SCHEMBL4859156 0.78 HSD11B1 (0.43) HSD11B1CYP2C19POLBDRD2DRD3
SCHEMBL5202338 0.77 GFER (0.47) HSD11B1SPRPOLBTPSAB1GFER
SCHEMBL5201722 0.76 HTR2B (0.53) POLB
SCHEMBL4859112 0.74 RORC (0.47) HSD11B1SPRPOLBTPSAB1GFER
SCHEMBL5203232 0.73 LMNA (0.51) HSD11B1POLBTPSAB1GFER
SCHEMBL5937364 0.73 ALDH1A1 (0.57) SPRPOLBTPSAB1
SCHEMBL5705162 0.73 RORC (0.51) SPRPOLBTPSAB1

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 HSD11B1 1144/4885CYP2C19 760/4885SPR 2184/4885

“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.