SCHEMBL17408882

SCHEMBL17408882

C=Cc1ccc(-c2cc(C)ccc2F)c(N2CCC2)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 5/20 0.37
▸ ALDH1A1 P00352 4/20 0.37
▸ KDM4E B2RXH2 3/20 0.37
▸ TDP1 Q9NUW8 3/20 0.37
▸ MAPT P10636 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ NPY5R Q15761 3/20 0.36
▸ NISCH Q9Y2I1 1/20 0.35
▸ PIM1 P11309 1/20 0.34
▸ SRC P12931 1/20 0.34
▸ GSK3A P49840 1/20 0.34
▸ MEN1 O00255 4/20 0.33
▸ KMT2A Q03164 4/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ LMNA P02545 2/20 0.32
▸ PDE4A P27815 1/20 0.32
▸ PDE4B Q07343 1/20 0.32
▸ PDE4C Q08493 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
SCHEMBL17408890 0.79 NISCH (0.38) L3MBTL1ALDH1A1KDM4ETDP1MAPT
SCHEMBL17408862 0.69 FFAR1 (0.36) NISCH
SCHEMBL17408886 0.67 PIM1 (0.41) NISCHPIM1SRCGSK3AMAPK1
SCHEMBL17408858 0.66 NISCH (0.39) L3MBTL1TDP1MAPTHPGDSMN1; SMN2
SCHEMBL29901001 0.66 NISCH (0.52) L3MBTL1TDP1MAPTHPGDSMN1; SMN2
SCHEMBL13830012 0.66 NISCH (0.52) L3MBTL1TDP1MAPTHPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL29900999 0.64 NISCH (0.50) L3MBTL1TDP1MAPTHPGDSMN1; SMN2
SCHEMBL17408899 0.64 TGFBR1 (0.37) NISCHPIM1SRCGSK3A
SCHEMBL15972533 0.64 PDE2A (0.41) ALDH1A1KDM4EMAPTHPGDMEN1
SCHEMBL25171590 0.63 S1PR4 (0.32) —

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-9840512-B2 Antidiabetic bicyclic compounds MERCK SHARP & DOHME CORP. (US) 2017-12-12 — — US disclosed
US-20160002255-A1 ANTIDIABETIC BICYCLIC COMPOUNDS MERCK SHARP & DOHME LLC 2016-01-07 — — 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-20160002255-A1 ANTIDIABETIC BICYCLIC COMPOUNDS GPR119, GPR65, GLP1R L3MBTL1 4316/4885ALDH1A1 2872/4885KDM4E 3801/4885

“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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