SCHEMBL12788321

SCHEMBL12788321

Cc1nc2ccc(Oc3ccc(F)cc3)cc2c(=O)n1Cc1ccc(-c2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.59
▸ GHSR Q92847 3/20 0.52
▸ CYP2D6 P10635 2/20 0.52
▸ KCNH2 Q12809 1/20 0.52
▸ ALDH1A1 P00352 2/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ MEN1 O00255 4/20 0.49
▸ KMT2A Q03164 4/20 0.49
▸ USP2 O75604 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ HDAC3 O15379 1/20 0.45
▸ HDAC4 P56524 1/20 0.45

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
SCHEMBL13409638 0.80 POLB (0.71) POLBALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL13564446 0.79 SMN1; SMN2 (0.57) POLBALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL12789801 0.79 MEN1 (0.64) POLBCYP2D6ALDH1A1SMN1; SMN2KDM4E
SCHEMBL31196725 0.79 SMN1; SMN2 (0.70) POLBALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL13392434 0.76 POLB (0.65) POLBGHSRCYP2D6KCNH2ALDH1A1
SCHEMBL12788310 0.74 SMN1; SMN2 (0.57) POLBALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL12788743 0.74 CYP2D6 (0.48) POLBGHSRCYP2D6KCNH2
SCHEMBL12789762 0.73 CYP2D6 (0.47) POLBGHSRCYP2D6KCNH2MEN1
SCHEMBL12789754 0.73 CYP2D6 (0.47) POLBGHSRCYP2D6KCNH2MEN1
SCHEMBL5792113 0.73 GHSR (0.59) GHSRCYP2D6KCNH2ALDH1A1SMN1; 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 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 POLB 4577/4885GHSR 87/4885CYP2D6 1548/4885

“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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