SCHEMBL17408890

SCHEMBL17408890

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NISCH Q9Y2I1 1/20 0.38
▸ PIM1 P11309 1/20 0.36
▸ SRC P12931 1/20 0.36
▸ GSK3A P49840 1/20 0.36
▸ HPGD P15428 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ CASP3 P42574 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ SENP8 Q96LD8 1/20 0.33
▸ SENP7 Q9BQF6 1/20 0.33
▸ SENP6 Q9GZR1 1/20 0.33
▸ TDP1 Q9NUW8 2/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ NFE2L2 Q16236 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ NFKB1 P19838 1/20 0.31

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
SCHEMBL15972533 0.82 PDE2A (0.41) HPGDMAPTNPSR1KDM4ENPC1
SCHEMBL17408858 0.79 NISCH (0.39) NISCHPIM1SRCGSK3AHPGD
SCHEMBL17408882 0.79 L3MBTL1 (0.37) NISCHPIM1SRCGSK3AHPGD
SCHEMBL25171590 0.77 S1PR4 (0.32) —
SCHEMBL17408886 0.74 PIM1 (0.41) NISCHPIM1SRCGSK3A
SCHEMBL17408862 0.74 FFAR1 (0.36) NISCH
SCHEMBL13830012 0.73 NISCH (0.52) NISCHPIM1SRCGSK3AHPGD
SCHEMBL29901001 0.73 NISCH (0.52) NISCHPIM1SRCGSK3AHPGD
Hydrochloric Acid SCHEMBL29900999 0.71 NISCH (0.50) NISCHPIM1SRCGSK3AHPGD
SCHEMBL17408899 0.71 TGFBR1 (0.37) NISCHPIM1SRCGSK3A

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 NISCH 2947/4885PIM1 4490/4885SRC 3606/4885

“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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