SCHEMBL4861849

SCHEMBL4861849

Cc1oc(C(C)(C)C)cc1C(=O)N1CCC(c2cn(Cc3cccc(C#N)c3)c3ccccc23)C1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.46
SLC2A1 P11166 1/20 0.45
SMO Q99835 1/20 0.42
HTR2A P28223 3/20 0.41
HTR2C P28335 3/20 0.41
HTR2B P41595 3/20 0.41
HRH2 P25021 5/20 0.39
ALDH1A1 P00352 4/20 0.39
NPSR1 Q6W5P4 3/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TPSAB1 Q15661 1/20 0.37
LMNA P02545 2/20 0.37
HTT P42858 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
SCHEMBL5206040 0.87 SMN1; SMN2 (0.47) SLC2A1HRH2ALDH1A1NPSR1MAPT
SCHEMBL5201634 0.80 SLC2A1 (0.47) KDM1ASLC2A1SMOHTR2AHTR2C
SCHEMBL5202596 0.78 ALDH1A1 (0.47) KDM1ASLC2A1SMOHTR2AHTR2C
SCHEMBL4859724 0.77 SMO (0.46) KDM1ASLC2A1SMOHTR2AHTR2C
SCHEMBL5202604 0.77 SLC2A1 (0.46) KDM1ASLC2A1SMOHTR2AHTR2C
SCHEMBL5202216 0.76 SMO (0.49) KDM1ASLC2A1SMOHTR2AHTR2C
SCHEMBL13445248 0.74 SMO (0.57) KDM1ASLC2A1SMOHTR2AHTR2C
SCHEMBL5206733 0.70 SCD5 (0.47) SLC2A1SMOHTR2AHTR2CHTR2B
SCHEMBL5202357 0.70 SLC2A1 (0.55) SLC2A1HTR2AHTR2CHTR2BALDH1A1
SCHEMBL3599338 0.70 SLC2A1 (0.55) SLC2A1SMOHTR2AHTR2CHTR2B

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 9 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
JP-2007501828-A 2007-02-01 JP claimed
EP-1654253-B1 SUBSTITUTED 3-PYRROLIDIN-INDOLE DERIVATIVES GRUENENTHAL GMBH (DE) 2007-01-03 EP claimed
EP-1654253-A1 SUBSTITUTED 3-PYRROLIDIN-INDOLE DERIVATIVES Grünenthal GmbH (DE) 2006-05-10 EP claimed
US-20050096376-A1 Substituted 3-pyrrolidine-indole derivatives GRUENENTHAL GMBH (DE) 2005-05-05 US claimed
WO-2005019208-A1 SUBSTITUTED 3-PYRROLIDIN-INDOLE DERIVATIVES Grünenthal GmbH (DE) 2005-03-03 WO 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 KDM1A 2875/4885SLC2A1 3979/4885SMO 3868/4885

“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.