SCHEMBL16639440

SCHEMBL16639440

CC(C)NC(=O)[C@H]1O[C@@H]1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA7 P36544 1/20 0.37
CHRNA4 P43681 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TSHR P16473 2/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
MMP8 P22894 1/20 0.34
CA9 Q16790 1/20 0.34
ADORA3 P0DMS8 1/20 0.33
ADORA2B P29275 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL16466637 1.00 CHRNB2 (0.37) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL16488393 0.79 CHRNB2 (0.36) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL15171440 0.77 SUCNR1 (0.52) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL4735608 0.77 CAPN1 (0.43) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL15325122 0.76 MAPK1 (0.42) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL15326430 0.76 MAPK1 (0.42) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL24091779 0.75
SCHEMBL11183116 0.74 CAPN1 (0.40) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL29296447 0.73 TSHR (0.41) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL19982743 0.73 CHRNB2 (0.33) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4

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-9365573-B2 Method for synthesizing sapropterin dihydrochloride ASYMCHEM LABORATORIES (TIANJIN) CO., LTD (CN) 2016-06-14 US disclosed
US-9365573-B2 Method for synthesizing sapropterin dihydrochloride ASYMCHEM LABORATORIES (TIANJIN) CO., LTD (CN) 2016-06-14 US disclosed
US-20150105555-A1 METHOD FOR SYNTHESIZING SAPROPTERIN DIHYDROCHLORIDE TIANJIN ASYMCHEM PHARMACEUTICAL CO., LTD (CN) 2015-04-16 US disclosed
US-20150105555-A1 METHOD FOR SYNTHESIZING SAPROPTERIN DIHYDROCHLORIDE TIANJIN ASYMCHEM PHARMACEUTICAL CO., LTD (CN) 2015-04-16 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-20150105555-A1 METHOD FOR SYNTHESIZING SAPROPTERIN DIHYDROCHLORIDE CYP51A1, DHCR7, LSS CHRNB2 2959/4885CHRNB4 2505/4885CHRNA3 3860/4885

“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.