SCHEMBL4860093

SCHEMBL4860093

CCn1cc(C2CCN(C(=O)c3ccc(F)cc3C(=O)c3ccc(F)cc3)C2)c2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HSD11B1 P28845 3/20 0.45
TPSAB1 Q15661 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
ATM Q13315 1/20 0.44
SLC2A1 P11166 1/20 0.42
KMT2A Q03164 1/20 0.41
GFER P55789 1/20 0.41
CNR1 P21554 2/20 0.40
RBP4 P02753 1/20 0.40
PROKR1 Q8TCW9 1/20 0.40
HTR6 P50406 1/20 0.40
HRH2 P25021 4/20 0.39

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
SCHEMBL5206419 0.88 SMN1; SMN2 (0.49) ALDH1A1SMN1; SMN2HSD11B1TPSAB1SLC2A1
SCHEMBL5203757 0.88 NPC1 (0.57) ALDH1A1SMN1; SMN2HSD11B1TPSAB1NPC1
SCHEMBL5202510 0.79 HSD11B1 (0.55) ALDH1A1SMN1; SMN2HSD11B1TPSAB1KMT2A
SCHEMBL4859740 0.79 HTR2A (0.46) TPSAB1CNR1HRH2
SCHEMBL5204533 0.79 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2HSD11B1TPSAB1NPC1
SCHEMBL5202168 0.79 PROKR1 (0.47) ALDH1A1SMN1; SMN2TPSAB1NPC1RAB9A
SCHEMBL4862667 0.78 TSHR (0.47) ALDH1A1SMN1; SMN2HSD11B1TPSAB1KMT2A
SCHEMBL5202100 0.77 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2HSD11B1TPSAB1KMT2A
SCHEMBL5204500 0.76 TPSAB1 (0.47) ALDH1A1SMN1; SMN2TPSAB1KMT2ACNR1
SCHEMBL5203268 0.74 GAA (0.48) ALDH1A1SMN1; SMN2HSD11B1KMT2A

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
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 755/4885SMN1; SMN2 2439/4885HSD11B1 1144/4885

“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.