SCHEMBL4491465

SCHEMBL4491465

CN1CCN(CC(=O)N(C)c2cccc(N)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD4 P21917 1/20 0.49
▸ NPC1 O15118 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ ADRA2C P18825 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ MELK Q14680 6/20 0.42
▸ CHEK1 O14757 2/20 0.42
▸ PRKAB2 O43741 2/20 0.42
▸ NUAK1 O60285 2/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ PRKAG1 P54619 2/20 0.42
▸ PRKAA2 P54646 2/20 0.42
▸ PRKAA1 Q13131 2/20 0.42
▸ CAMKK2 Q96RR4 2/20 0.42
▸ PRKAG3 Q9UGI9 2/20 0.42
▸ PRKAG2 Q9UGJ0 2/20 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
SCHEMBL17976248 0.90 DRD4 (0.47) DRD4NPC1LMNARAB9ASMN1; SMN2
SCHEMBL17976220 0.89 OPRK1 (0.49) DRD4AURKAOPRK1SIGMAR1
SCHEMBL17976036 0.88 OPRK1 (0.48) DRD4ALDH1A1OPRK1SIGMAR1
SCHEMBL436539 0.83 DRD4 (0.50) DRD4NPC1LMNARAB9ASMN1; SMN2
SCHEMBL12359040 0.83 DRD4 (0.67) DRD4NPC1LMNARAB9ASMN1; SMN2
SCHEMBL22820275 0.81 NPC1 (0.43) DRD4NPC1LMNARAB9ASMN1; SMN2
SCHEMBL4490990 0.79 DRD4 (0.46) DRD4NPC1LMNARAB9ASMN1; SMN2
SCHEMBL7340748 0.79 HDAC1 (0.51) DRD4NPC1RAB9AALDH1A1KDM4E
SCHEMBL520985 0.78 AURKA (0.45) DRD4NPC1LMNARAB9ASMN1; SMN2
SCHEMBL7347126 0.77 HDAC1 (0.49) NPC1RAB9ASMN1; SMN2ALDH1A1GAA

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
EP-3056202-A1 BENZOPYRROLIDONE DERIVATIVES POSSESSING ANTIVIRAL AND ANTICANCER PROPERTIES Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2016-08-17 — — EP disclosed
US-7514468-B2 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-04-07 — — US disclosed
US-20060194813-A1 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2006-08-31 — — US disclosed
EP-1527046-A1 INDOLINE DERIVATIVES SUBSTITUTED IN POSITION 6, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-05-04 — — EP disclosed
WO-2004009546-A1 INDOLINE DERIVATIVES SUBSTITUTED IN POSITION 6, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-01-29 — — WO 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-20060194813-A1 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions KDR, FLT1, EGFR DRD4 1051/4885NPC1 3787/4885LMNA 1884/4885

“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.

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