SCHEMBL12788906

SCHEMBL12788906

CCCN(C)c1ccc2nc(C)n(C(c3ccccc3)c3ccccc3)c(=O)c2c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NTSR1 P30989 5/20 0.40
▸ DHFR P00374 1/20 0.38
▸ IP6K1 Q92551 1/20 0.35
▸ ALDH1A1 P00352 4/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ TRPV1 Q8NER1 1/20 0.35
▸ KDM4E B2RXH2 3/20 0.34
▸ HPGD P15428 3/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.34
▸ CASR P41180 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL12846932 0.91 DHFR (0.39) NTSR1DHFRIP6K1ALDH1A1MAPK1
SCHEMBL12788508 0.89 DHFR (0.41) DHFRIP6K1ALDH1A1MAPK1RAB9A
SCHEMBL12788544 0.88 DHFR (0.41) DHFRIP6K1MEN1KMT2A
SCHEMBL13564458 0.88 DHFR (0.39) DHFRIP6K1ALDH1A1MAPK1RAB9A
SCHEMBL12788953 0.87 NAMPT (0.38) NTSR1DHFRIP6K1ALDH1A1MAPK1
SCHEMBL12788909 0.87 DHFR (0.36) NTSR1DHFRIP6K1ALDH1A1MAPK1
SCHEMBL12788421 0.87 IP6K1 (0.50) DHFRIP6K1MEN1KMT2A
SCHEMBL12789902 0.86 DHFR (0.36) NTSR1DHFRIP6K1ALDH1A1MAPK1
SCHEMBL12788332 0.86 PDE3B (0.46) DHFRIP6K1ALDH1A1MAPK1RAB9A
SCHEMBL12788945 0.86 DHFR (0.35) NTSR1DHFRIP6K1ALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2297117-B1 BICYCLIC HETEROCYCLE DERIVATIVES AND USE THEREOF AS GPR119 MODULATORS MERCK SHARP & DOHME (US) 2012-10-31 — — EP disclosed
US-20110065671-A1 BICYCLIC HETEROCYCLE DERIVATIVES AND USE THEREOF AS GPR119 MODULATORS MERCK SHARP & DOHME CORP. 2011-03-17 — — US disclosed
US-20110065671-A1 BICYCLIC HETEROCYCLE DERIVATIVES AND USE THEREOF AS GPR119 MODULATORS MERCK SHARP & DOHME CORP. 2011-03-17 — — 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-20110065671-A1 BICYCLIC HETEROCYCLE DERIVATIVES AND USE THEREOF AS GPR119 MODULATORS GPR119, GPR39, GPR65 NTSR1 107/4885DHFR 3231/4885IP6K1 2314/4885

“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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