SCHEMBL16219020

SCHEMBL16219020

CC(C)C(=O)N1CC2CC2C1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 9/20 0.63
▸ CHRNA3 P32297 9/20 0.63
▸ CHRNA4 P43681 9/20 0.63
▸ CHRNB3 Q05901 2/20 0.63
▸ CHRNA6 Q15825 2/20 0.63
▸ PIK3CD O00329 1/20 0.42
▸ DPP4 P27487 1/20 0.40
▸ CHRNB4 P30926 7/20 0.35
▸ JAK1 P23458 3/20 0.34
▸ JAK2 O60674 2/20 0.34
▸ JAK3 P52333 2/20 0.34
▸ CHRNA7 P36544 5/20 0.34
▸ NR1H2 P55055 1/20 0.34
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ KMT2A Q03164 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
SCHEMBL22991233 1.00 CHRNB2 (0.63) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL18348009 0.89 CHRNB2 (0.57) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL18517354 0.82 CHRNB2 (0.53) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL18347986 0.82 CHRNB2 (0.53) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL18347964 0.82 CHRNB2 (0.53) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL24869655 0.82 CHRNB2 (0.53) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL18498298 0.82 CHRNB2 (0.53) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL18348011 0.82 CHRNB2 (0.53) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL12308335 0.82 CHRNB2 (0.53) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL1463491 0.80 CHRNA4 (0.61) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6

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-9018224-B2 Substituted cyclopropyl compounds useful as GPR119 agonists MERCK SHARP & DOHME CORP. (US) 2015-04-28 — — US disclosed
US-20140329798-A1 SUBSTITUTED CYCLOPROPYL COMPOUNDS USEFUL AS GPR119 AGONISTS MERCK SHARP & DOHME LLC 2014-11-06 — — 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-20140329798-A1 SUBSTITUTED CYCLOPROPYL COMPOUNDS USEFUL AS GPR119 AGONISTS GPR119, GPR27, GCGR CHRNB2 368/4885CHRNA3 464/4885CHRNA4 533/4885

“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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