SCHEMBL2999779

SCHEMBL2999779

CCCC(CCC)N1Cc2c(C(=O)OC)cc(N)cc2C1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 1/20 0.35
GAA P10253 4/20 0.33
POLB P06746 3/20 0.33
THRB P10828 1/20 0.33
LMNA P02545 1/20 0.32
OPRK1 P41145 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
KDM4E B2RXH2 6/20 0.32
ALDH1A1 P00352 3/20 0.32
TSHR P16473 2/20 0.32
MAPT P10636 2/20 0.32
HPGD P15428 2/20 0.32
HSD17B10 Q99714 2/20 0.32
ALOX15 P16050 2/20 0.32
GRIA1 P42261 1/20 0.32
GRIA2 P42262 1/20 0.32
GRIA3 P42263 1/20 0.32
GRIA4 P48058 1/20 0.32

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
SCHEMBL3001241 0.91 ITGB3 (0.37) CRHR1GAAPOLBTHRBOPRK1
SCHEMBL3645020 0.86 KDM4E (0.35) SLC6A3KDM4EALDH1A1HPGDALOX15
SCHEMBL3006481 0.81 CHEK1 (0.39) CRHR1GAAPOLBTHRBKDM4E
SCHEMBL2998693 0.79 KMT2A (0.36) CRHR1GAAPOLBTHRBLMNA
SCHEMBL3005687 0.78 GRIA1 (0.38) CRHR1LMNAOPRK1SLC6A2SLC6A4
SCHEMBL2993123 0.78 CRHR1 (0.39) CRHR1LMNAOPRK1SLC6A2SLC6A4
SCHEMBL3651071 0.77 ITGB3 (0.39) LMNASLC6A3KDM4EALOX15ITGB3
SCHEMBL3002076 0.77 GRIA1 (0.37) CRHR1OPRK1SLC6A2SLC6A4SLC6A3
SCHEMBL2993872 0.73 ALDH1A1 (0.45) CRHR1GAALMNAOPRK1SLC6A2
SCHEMBL2996210 0.73 CHEK1 (0.37) CRHR1GAAPOLBTHRBKDM4E

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 CRHR1 1339/4885GAA 1958/4885POLB 2913/4885

“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.