SCHEMBL3036992

SCHEMBL3036992

CCOC(=O)c1ccc(C2=CCCN(C(=O)OC(C)(C)C)C2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.48
ADORA1 P30542 1/20 0.46
MAPT P10636 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
FDFT1 P37268 1/20 0.42
GPR119 Q8TDV5 4/20 0.41
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
ESR2 Q92731 2/20 0.40
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MYC P01106 1/20 0.40
NR1H2 P55055 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
ESR1 P03372 1/20 0.40
CA7 P43166 1/20 0.40

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
SCHEMBL31649256 0.87 NR1H2 (0.49) MAPTGPR119ESR2MEN1KMT2A
SCHEMBL8054238 0.83 NAMPT (0.54) ATMADORA1MAPTALDH1A1KDM4E
SCHEMBL29197658 0.82 ESR2 (0.55) MAPTGPR119ESR2ALDH1A1SMN1; SMN2
SCHEMBL19459096 0.81 ESR2 (0.45) MAPTESR2ALDH1A1NR1H2ESR1
SCHEMBL22945237 0.81 MEN1 (0.51) NPSR1ESR2SMN1; SMN2MEN1KMT2A
SCHEMBL28835616 0.81 NR1H2 (0.56) ADORA1MAPTGPR119RAB9ANPC1
SCHEMBL22944628 0.81 NAMPT (0.48) GPR119ESR2NR1H2NAMPT
SCHEMBL6352947 0.80 MAPK1 (0.49) GPR119ESR2NR1H2KDM4ENAMPT
SCHEMBL1673622 0.80 ESR2 (0.43) GPR119ESR2ALDH1A1MEN1KMT2A
SCHEMBL6218755 0.79 ADORA1 (0.49) ATMADORA1NPSR1GPR119ESR2

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-8507512-B2 Soluble guanylate cyclase activators MERCK SHARP & DOHME CORP. (US) 2013-08-13 US disclosed
US-20100216764-A1 Soluble Guanylate Cyclase Activators MERCK SHARP & DOHME LLC 2010-08-26 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-20100216764-A1 Soluble Guanylate Cyclase Activators GUCY1B1, GUCY1A1, GUCY1A2 ATM 457/4885ADORA1 135/4885MAPT 3281/4885

“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.