SCHEMBL16889155

SCHEMBL16889155

CCC(=O)N1[C@H](C)COC[C@H]1C

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.35
CHRNA3 P32297 3/20 0.35
CHRNA4 P43681 3/20 0.35
CHRNB3 Q05901 1/20 0.35
CHRNA6 Q15825 1/20 0.35
CHRNB4 P30926 2/20 0.34
CHRNA7 P36544 2/20 0.34
ALDH1A1 P00352 2/20 0.33
GLA P06280 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.31
PRMT5 O14744 1/20 0.30
MAPT P10636 1/20 0.30
SCN9A Q15858 1/20 0.30

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
SCHEMBL20672083 1.00 CHRNB2 (0.35) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL16889154 1.00 CHRNB2 (0.35) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL8471321 0.83 SMN1; SMN2 (0.35) ALDH1A1GLAHPGDSMN1; SMN2PRMT5
SCHEMBL20204915 0.81 ALDH1A1 (0.32) ALDH1A1GLAHPGDSMN1; SMN2
SCHEMBL21561666 0.81 ACE (0.34) ALDH1A1GLAHPGDSMN1; SMN2SCN9A
SCHEMBL17026384 0.81 ALDH1A1 (0.42) ALDH1A1GLAHPGDSMN1; SMN2
SCHEMBL17026385 0.81 ALDH1A1 (0.42) ALDH1A1GLAHPGDSMN1; SMN2
SCHEMBL18994459 0.79 ALDH1A1 (0.43) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL13612710 0.79 ALDH1A1 (0.43) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL16885251 0.78 SMN1; SMN2 (0.53) ALDH1A1GLAHPGDSMN1; SMN2PRMT5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9586931-B2 Triazolyl derivatives as Syk inhibitors MERCK SHARP & DOHME CORP. (US) 2017-03-07 US disclosed
US-9242984-B2 Pyrazolyl derivatives as Syk inhibitors MERCK SHARP & DOHME CORP. (US) 2016-01-26 US disclosed
US-20150239866-A1 TRIAZOLYL DERIVATIVES AS SYK INHIBITORS MERCK CANADA INC. (CA) 2015-08-27 US disclosed
US-20150191461-A1 PYRAZOLYL DERIVATIVES AS SYK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-07-09 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 (2 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-20150191461-A1 PYRAZOLYL DERIVATIVES AS SYK INHIBITORS SYK, BTK, LCK CHRNB2 3012/4885CHRNA3 3259/4885CHRNA4 3605/4885
US-20150239866-A1 TRIAZOLYL DERIVATIVES AS SYK INHIBITORS SYK, BTK, TYRO3 CHRNB2 2871/4885CHRNA3 2923/4885CHRNA4 3652/4885

“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.