SCHEMBL2997809

SCHEMBL2997809

CCOCCN1CCc2c(C(=O)O)cccc2C1=O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.46
DRD2 P14416 2/20 0.41
DRD4 P21917 2/20 0.41
DRD3 P35462 1/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
LMNA P02545 5/20 0.41
ALDH1A1 P00352 4/20 0.41
PKM P14618 2/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 2/20 0.41
HRH2 P25021 1/20 0.40
ALOX15 P16050 1/20 0.40
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 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
SCHEMBL2998675 0.88 HTT (0.49) HTTDRD2DRD4DRD3SMN1; SMN2
SCHEMBL2992351 0.82 ALDH1A1 (0.45) HTTDRD2DRD4DRD3SMN1; SMN2
SCHEMBL3002188 0.82 HTT (0.44) HTTDRD2DRD4DRD3SMN1; SMN2
SCHEMBL2998761 0.76 DHPS (0.62) HTTSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL8551946 0.72 MAPT (0.38) HTTLMNAALDH1A1POLBMAPT
SCHEMBL2996231 0.70 DHPS (0.42) HTTLMNAALDH1A1MAPTALOX15
SCHEMBL3007616 0.69 DRD2 (0.44) HTTDRD2DRD4DRD3SMN1; SMN2
SCHEMBL20014841 0.69 ITGB3 (0.35)
SCHEMBL5810628 0.68 DRD2 (0.43) HTTDRD2DRD4DRD3SMN1; SMN2
SCHEMBL5811844 0.67 HTT (0.45) HTTDRD2DRD4DRD3SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8372864-B2 1-oxo-isoindoline-4-carboxamide and 1-oxo-1,2,3,4-tetrahydroisoquinoline-5-carboxamide derivatives, preparation and therapeutic use thereof SANOFI (FR) 2013-02-12 US disclosed
US-20100197725-A1 1-OXO-ISOINDOLINE-4-CARBOXAMIDE AND 1-OXO-1,2,3,4-TETRAHYDROISOQUINOLINE-5-CARBOXAMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-08-05 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-20100197725-A1 1-OXO-ISOINDOLINE-4-CARBOXAMIDE AND 1-OXO-1,2,3,4-TETRAHYDROISOQUINOLINE-5-CARBOXAMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF COX4I1, CNR2, CNR1 HTT 1491/4885DRD2 670/4885DRD4 707/4885

“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.