SCHEMBL4852063

SCHEMBL4852063

CCCCn1cc(C2CCN(C(=O)C(C)Oc3ccccc3)C2)c2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 12/20 0.53
HTR2A P28223 3/20 0.51
HTR2C P28335 3/20 0.51
HTR2B P41595 3/20 0.51
TPSAB1 Q15661 1/20 0.43
THRB P10828 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL4859761 0.82 HRH2 (0.48) HRH2HTR2AHTR2CHTR2B
SCHEMBL5204952 0.81 HRH2 (0.55) HRH2HTR2AHTR2CHTR2BTPSAB1
SCHEMBL5206068 0.81 LMNA (0.49) HRH2HTR2AHTR2CHTR2BTHRB
SCHEMBL27559062 0.77 HRH2 (0.59) HRH2HTR2AHTR2CHTR2BTPSAB1
SCHEMBL5205873 0.77 HRH2 (0.51) HRH2HTR2AHTR2CHTR2BKDM4E
SCHEMBL5205803 0.76 HRH2 (0.50) HRH2HTR2AHTR2CHTR2BTPSAB1
SCHEMBL4849757 0.73 HRH2 (0.47) HRH2HTR2AHTR2CHTR2BTPSAB1
SCHEMBL27478068 0.73 HRH2 (0.55) HRH2HTR2AHTR2CHTR2BTPSAB1
SCHEMBL5201671 0.71 ALDH1A1 (0.51) HRH2HTR2AHTR2CHTR2BTPSAB1
SCHEMBL5799049 0.71 HRH2 (0.44) HRH2HTR2AHTR2CHTR2BTPSAB1

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
EP-1654253-B1 SUBSTITUTED 3-PYRROLIDIN-INDOLE DERIVATIVES GRUENENTHAL GMBH (DE) 2007-01-03 EP 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 HRH2 973/4885HTR2A 12/4885HTR2C 7/4885

“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.