SCHEMBL4852957

SCHEMBL4852957

CCCc1c(C(=O)N2CCC(c3cn(Cc4ccccc4F)c4ccccc34)C2)cnn1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
LMNA P02545 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
ALOX12 P18054 1/20 0.44
HTT P42858 1/20 0.44
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
NOD2 Q9HC29 1/20 0.41
POLB P06746 1/20 0.40
TP53 P04637 4/20 0.39
HRH2 P25021 2/20 0.39
MAPT P10636 3/20 0.39
THRB P10828 1/20 0.38
MAPK1 P28482 2/20 0.38
GAA P10253 1/20 0.38
MAPK14 Q16539 1/20 0.38

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
SCHEMBL4860205 0.81 ALDH1A1 (0.34) ALDH1A1LMNANPSR1ALOX12HTT
SCHEMBL5206324 0.74 SLC2A1 (0.50) ALDH1A1LMNANPSR1HTTPOLB
SCHEMBL2857718 0.71 ALDH1A1 (0.69) ALDH1A1LMNAPOLBMAPTMAPK1
SCHEMBL5206419 0.71 SMN1; SMN2 (0.49) ALDH1A1HRH2MAPK1
SCHEMBL16615597 0.70 ALDH1A1 (0.74) ALDH1A1LMNANPSR1TP53MAPT
SCHEMBL5202510 0.69 HSD11B1 (0.55) ALDH1A1HTTHRH2MAPK14
SCHEMBL5201638 0.69 SLC2A1 (0.49) ALDH1A1LMNANPSR1HTTPOLB
SCHEMBL9942761 0.69 TP53 (0.65) LMNANPSR1POLBTP53MAPT
SCHEMBL4854486 0.69 ALDH1A1 (0.46) ALDH1A1NPSR1HRH2MAPK14
SCHEMBL5203757 0.69 NPC1 (0.57) ALDH1A1NPC1RAB9AHRH2

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 ALDH1A1 755/4885LMNA 3265/4885NPSR1 51/4885

“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.