SCHEMBL4504352

SCHEMBL4504352

CN1CCN(CC(=O)Nc2cccc(N)c2)CC1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.64
POLB P06746 2/20 0.59
SMN1; SMN2 Q16637 4/20 0.56
LMNA P02545 1/20 0.56
GAA P10253 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
CYP2C19 P33261 1/20 0.54
EGFR P00533 1/20 0.53
DRD2 P14416 1/20 0.53
DRD4 P21917 1/20 0.53
DRD3 P35462 1/20 0.53
ALOX15 P16050 1/20 0.52

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
SCHEMBL13591868 0.88 L3MBTL1 (0.73) ALDH1A1SMN1; SMN2LMNAL3MBTL1
SCHEMBL3221943 0.87 POLB (0.78) ALDH1A1POLBSMN1; SMN2CYP2C19
SCHEMBL13459926 0.87 ALDH1A1 (0.61) ALDH1A1POLBSMN1; SMN2LMNADRD2
SCHEMBL3220294 0.86 POLB (0.81) ALDH1A1POLBSMN1; SMN2CYP2C19
SCHEMBL13314913 0.85 SMN1; SMN2 (0.72) ALDH1A1POLBSMN1; SMN2LMNAGAA
SCHEMBL14622199 0.85 ALDH1A1 (0.66) ALDH1A1POLBSMN1; SMN2LMNAGAA
SCHEMBL13314911 0.84 ALDH1A1 (0.55) ALDH1A1POLBSMN1; SMN2DRD2DRD4
SCHEMBL13314643 0.84 ALDH1A1 (0.58) ALDH1A1POLBSMN1; SMN2LMNACYP2C19
SCHEMBL13460020 0.84 POLB (0.59) ALDH1A1POLBSMN1; SMN2CYP2C19DRD2
SCHEMBL3695979 0.84 ALDH1A1 (0.64) ALDH1A1POLBSMN1; SMN2LMNAGAA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ALDH1A1 2036/4885POLB 4146/4885SMN1; SMN2 4006/4885

“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.