SCHEMBL4859536

SCHEMBL4859536

CCn1cc(C2CCN(c3cc(C)[c]c(C(=O)c4ccccc4C)c3)C2)c2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 14/20 0.40
HTR2A P28223 3/20 0.36
HTR2C P28335 3/20 0.36
HTR2B P41595 3/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL5202510 0.76 HSD11B1 (0.55) HRH2HTR2BKMT2AALDH1A1SMN1; SMN2
SCHEMBL5205358 0.74 ALDH1A1 (0.45) HRH2KMT2AALDH1A1SMN1; SMN2
SCHEMBL5202100 0.72 ALDH1A1 (0.51) HRH2KMT2AALDH1A1SMN1; SMN2
SCHEMBL14559252 0.68 KDM4E (0.51) HRH2HTR2AHTR2CHTR2BKMT2A
SCHEMBL6378962 0.66 HRH2 (0.34) HRH2HTR2AHTR2CHTR2BKMT2A
SCHEMBL5205775 0.66 HRH2 (0.39) HRH2HTR2AHTR2CHTR2BKMT2A
SCHEMBL5206419 0.65 SMN1; SMN2 (0.49) HRH2HTR2AHTR2CKMT2AALDH1A1
SCHEMBL4852959 0.64 SMN1; SMN2 (0.53) HRH2HTR2AHTR2CHTR2BKMT2A
SCHEMBL5203757 0.64 NPC1 (0.57) HRH2KMT2AALDH1A1SMN1; SMN2
SCHEMBL4862667 0.64 TSHR (0.47) HRH2KMT2AALDH1A1SMN1; SMN2

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 2 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 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.