SCHEMBL4857604

SCHEMBL4857604

COc1cccc(Cn2cc(C3CCN(C(=O)C=Cc4ccccc4)C3)c3ccccc32)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.53
ALDH1A1 P00352 1/20 0.53
NPC1 O15118 1/20 0.48
HPGD P15428 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HRH2 P25021 4/20 0.47
HTR2A P28223 4/20 0.46
HTR2C P28335 4/20 0.46
HTR2B P41595 4/20 0.46
ACHE P22303 1/20 0.46
GPR183 P32249 1/20 0.44
SLC2A1 P11166 1/20 0.43
ALOX5 P09917 1/20 0.43
POLB P06746 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
SCHEMBL5205779 0.84 HRH2 (0.49) MAPTALDH1A1HPGDSMN1; SMN2HRH2
SCHEMBL5203370 0.84 HRH2 (0.47) MAPTALDH1A1HRH2HTR2AHTR2C
SCHEMBL4852934 0.84 HRH2 (0.50) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL4859761 0.83 HRH2 (0.48) MAPTHRH2HTR2AHTR2CHTR2B
SCHEMBL5204486 0.82 MAPT (0.54) MAPTALDH1A1RAB9ASMN1; SMN2HRH2
SCHEMBL5202293 0.82 THRB (0.49) MAPTALDH1A1HRH2HTR2AHTR2C
SCHEMBL4857600 0.81 HTR2A (0.49) MAPTALDH1A1HRH2HTR2AHTR2C
SCHEMBL5202181 0.79 HRH2 (0.49) MAPTHRH2HTR2AHTR2CHTR2B
SCHEMBL5203382 0.78 MAPT (0.46) MAPTALDH1A1SMN1; SMN2HRH2HTR2A
SCHEMBL5204484 0.78 SLC2A1 (0.47) MAPTALDH1A1HRH2HTR2AHTR2C

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 3 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
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 MAPT 890/4885ALDH1A1 755/4885NPC1 3308/4885

“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.