SCHEMBL4858050

SCHEMBL4858050

Cn1cc(C2CCN(C(=O)C=Cc3ccccc3)C2)c2ccccc21

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.62
NPC1 O15118 5/20 0.62
SMN1; SMN2 Q16637 5/20 0.62
MAPT P10636 4/20 0.62
HPGD P15428 2/20 0.62
ALDH1A1 P00352 2/20 0.53
POLB P06746 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
CCR2 P41597 2/20 0.47
LMNA P02545 2/20 0.46
GAA P10253 1/20 0.46
RORC P51449 1/20 0.43
KDM4E B2RXH2 1/20 0.43
TP53 P04637 1/20 0.42
THRB P10828 1/20 0.42

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
SCHEMBL5206944 0.82 RAB9A (0.55) RAB9ANPC1SMN1; SMN2MAPTHPGD
SCHEMBL5705162 0.79 RORC (0.51) SMN1; SMN2HPGDALDH1A1POLBMEN1
SCHEMBL4857604 0.77 MAPT (0.53) RAB9ANPC1SMN1; SMN2MAPTHPGD
SCHEMBL5201722 0.77 HTR2B (0.53) RAB9ANPC1SMN1; SMN2HPGDALDH1A1
SCHEMBL5937364 0.76 ALDH1A1 (0.57) MAPTALDH1A1POLBKMT2ALMNA
SCHEMBL5202338 0.76 GFER (0.47) RAB9ANPC1ALDH1A1POLBRORC
SCHEMBL4855807 0.75 KDM4E (0.48) ALDH1A1LMNAGAARORCKDM4E
SCHEMBL4858049 0.75 MEN1 (0.52) RAB9ANPC1SMN1; SMN2MAPTHPGD
SCHEMBL5203232 0.74 LMNA (0.51) RAB9AMAPTHPGDALDH1A1POLB
SCHEMBL18701720 0.73 RORC (0.49) RAB9AALDH1A1POLBMEN1KMT2A

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 5 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
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 RAB9A 3359/4885NPC1 3308/4885SMN1; SMN2 2439/4885

“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.