SCHEMBL6103930

SCHEMBL6103930

CCN(CC)C(=O)c1ccc(OCCN2CCOCC2)cc1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 5/20 0.83
▸ SMN1; SMN2 Q16637 2/20 0.71
▸ GAA P10253 1/20 0.71
▸ ALDH1A1 P00352 5/20 0.66
▸ KDM4E B2RXH2 2/20 0.66
▸ THRB P10828 2/20 0.60
▸ LMNA P02545 2/20 0.60
▸ MAPT P10636 2/20 0.60
▸ KMT2A Q03164 1/20 0.60
▸ THRA P10827 1/20 0.58
▸ PSMB1 P20618 1/20 0.58
▸ PSMB5 P28074 1/20 0.58
▸ MAPK1 P28482 2/20 0.56
▸ CYP1A2 P05177 1/20 0.56
▸ CHRM2 P08172 1/20 0.56
▸ CHRM1 P11229 1/20 0.56
▸ HTR2A P28223 1/20 0.56
▸ SCN1A P35498 1/20 0.56
▸ HTR2B P41595 1/20 0.56
▸ KCNH2 Q12809 1/20 0.56

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
SCHEMBL12670301 0.83 SMN1; SMN2 (1.00) HRH3SMN1; SMN2GAAALDH1A1KDM4E
SCHEMBL4455251 0.83 ALDH1A1 (0.92) HRH3SMN1; SMN2GAAALDH1A1KDM4E
SCHEMBL991354 0.81 ALDH1A1 (0.76) HRH3SMN1; SMN2GAAALDH1A1KDM4E
SCHEMBL4441360 0.81 SMN1; SMN2 (0.73) HRH3SMN1; SMN2GAAALDH1A1KDM4E
SCHEMBL863522 0.81 SMN1; SMN2 (0.81) HRH3SMN1; SMN2GAAALDH1A1KDM4E
SCHEMBL63569 0.81 SMN1; SMN2 (0.72) HRH3SMN1; SMN2GAAALDH1A1KDM4E
SCHEMBL990939 0.80 GAA (0.71) HRH3SMN1; SMN2GAAALDH1A1KDM4E
SCHEMBL3007594 0.80 GAA (0.71) HRH3SMN1; SMN2GAAALDH1A1KDM4E
Hydrochloric Acid SCHEMBL7887532 0.80 ALDH1A1 (0.74) HRH3SMN1; SMN2GAAALDH1A1KDM4E
SCHEMBL2026097 0.80 HRH3 (0.61) HRH3SMN1; SMN2GAAALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060004084-A1 (3Z)-3-(2,3-dihydro-1H-inden-1-ylidene)-1,3-dihydro-2H-indol-2-ones as kinase inhibitors ALLERGAN, INC. 2006-01-05 — — 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-20060004084-A1 (3Z)-3-(2,3-dihydro-1H-inden-1-ylidene)-1,3-dihydro-2H-indol-2-ones as kinase inhibitors CDK2, ERBB2, MAP3K3 HRH3 2502/4885SMN1; SMN2 4621/4885GAA 3309/4885

“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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