SCHEMBL2993872

SCHEMBL2993872

CCCC(CCC)N1CCc2c(C(=O)OC)cc([N+](=O)[O-])cc2C1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
LMNA P02545 1/20 0.40
OPRK1 P41145 2/20 0.37
SLC6A3 Q01959 2/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
GAA P10253 1/20 0.36
P2RX7 Q99572 1/20 0.36
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
DRD2 P14416 1/20 0.36
GRIA1 P42261 1/20 0.35
GRIA2 P42262 1/20 0.35
GRIA3 P42263 1/20 0.35
GRIA4 P48058 1/20 0.35
HTT P42858 1/20 0.35
CRHR1 P34998 1/20 0.34
SIRT6 Q8N6T7 1/20 0.34

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
SCHEMBL3006096 0.92 ALDH1A1 (0.44) ALDH1A1LMNAOPRK1SLC6A3SLC6A2
SCHEMBL2996274 0.88 SLC6A2 (0.38) ALDH1A1SLC6A3SLC6A2SLC6A4MEN1
SCHEMBL2993123 0.84 CRHR1 (0.39) LMNAOPRK1SLC6A3SLC6A2SLC6A4
SCHEMBL3002076 0.83 GRIA1 (0.37) OPRK1SLC6A3SLC6A2SLC6A4GRIA1
SCHEMBL3652884 0.79 HTT (0.38) ALDH1A1SLC6A3SLC6A2SLC6A4MEN1
SCHEMBL3652879 0.79 HTT (0.38) ALDH1A1SLC6A3SLC6A2SLC6A4MEN1
SCHEMBL2996210 0.78 CHEK1 (0.37) GAAHPGDGRIA1GRIA2GRIA3
SCHEMBL3005921 0.78 MAPT (0.41) ALDH1A1LMNASLC6A3SLC6A2SLC6A4
SCHEMBL3004858 0.77 KMT2A (0.35) ALDH1A1LMNAGAAMEN1KMT2A
SCHEMBL3003368 0.75 DHPS (0.38) ALDH1A1LMNAMEN1HPGDKMT2A

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 ALDH1A1 241/4885LMNA 2606/4885OPRK1 29/4885

“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.