SCHEMBL12789754

SCHEMBL12789754

CC[C@H](Cc1ccccc1)n1c(C)nc2ccc(Oc3ccc(F)cc3)cc2c1=O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 4/20 0.47
▸ GHSR Q92847 3/20 0.47
▸ KCNH2 Q12809 2/20 0.47
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ POLB P06746 2/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.38
▸ CASR P41180 1/20 0.38
▸ GRK2 P25098 1/20 0.38
▸ P2RX3 P56373 1/20 0.38
▸ DHODH Q02127 2/20 0.37
▸ PLA2G2A P14555 1/20 0.37
▸ F2RL1 P55085 1/20 0.36
▸ SCN9A Q15858 1/20 0.36

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
SCHEMBL12789762 1.00 CYP2D6 (0.47) CYP2D6GHSRKCNH2MEN1KMT2A
SCHEMBL12789106 0.91 CYP2D6 (0.44) CYP2D6GHSRKCNH2MEN1KMT2A
SCHEMBL12789093 0.90 CYP2D6 (0.45) CYP2D6GHSRKCNH2MEN1KMT2A
SCHEMBL12789087 0.90 CYP2D6 (0.45) CYP2D6GHSRKCNH2MEN1KMT2A
SCHEMBL12789763 0.84 CYP2D6 (0.48) CYP2D6GHSRKCNH2POLBHRH3
SCHEMBL12789766 0.84 CYP2D6 (0.48) CYP2D6GHSRKCNH2POLBHRH3
SCHEMBL12789709 0.83 MEN1 (0.41) MEN1KMT2AMAPTNPSR1POLB
SCHEMBL12789743 0.83 MEN1 (0.41) MEN1KMT2AMAPTNPSR1POLB
SCHEMBL12788743 0.81 CYP2D6 (0.48) CYP2D6GHSRKCNH2POLBHRH3
SCHEMBL13564427 0.81 KMT2A (0.47) MEN1KMT2AMAPTNPSR1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CYP2D6 1548/4885GHSR 87/4885KCNH2 1907/4885

“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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