SCHEMBL12719014

SCHEMBL12719014

COC(=O)[C@@H](C)n1cc(C2CC2)nn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.40
GPR88 Q9GZN0 2/20 0.38
HTT P42858 1/20 0.38
ATM Q13315 1/20 0.38
IDO1 P14902 1/20 0.34
VHL P40337 2/20 0.33
RECQL P46063 2/20 0.33
IRAK4 Q9NWZ3 2/20 0.33
EPHX2 P34913 1/20 0.33
CACNA1C Q13936 1/20 0.33
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
JAK3 P52333 1/20 0.32
MIF P14174 1/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
PRSS1 P07477 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
SCHEMBL12719013 0.85 CYP19A1 (0.40) CYP19A1GPR88HTTATMIDO1
SCHEMBL10129837 0.80 GPR88 (0.46) CYP19A1GPR88IDO1
SCHEMBL30890439 0.80 CNR2 (0.36) CYP19A1GPR88IDO1VHLRECQL
SCHEMBL24441185 0.78 CYP19A1 (0.34) CYP19A1GPR88IDO1IRAK4CNR2
SCHEMBL12172122 0.77 CYP19A1 (0.56) CYP19A1GPR88HTTATMMIF
SCHEMBL908831 0.76 HTT (0.36) GPR88HTTATMRECQLKDM4E
SCHEMBL18734148 0.76 CYP19A1 (0.49) CYP19A1GPR88IDO1JAK2MIF
SCHEMBL10981891 0.75 HTT (0.35) HTTATMRECQLKDM4ENPC1
SCHEMBL10129843 0.75 GPR88 (0.44) CYP19A1GPR88IDO1TP53PRSS1
SCHEMBL4751987 0.73 HTT (0.43) CYP19A1GPR88HTTATMIRAK4

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-7928122-B2 Modulators of cellular adhesion SARCODE CORPORATION (US) 2011-04-19 US disclosed
US-20100093693-A1 MODULATORS OF CELLULAR ADHESION BAUSCH + LOMB IRELAND LIMITED (IE) 2010-04-15 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-20100093693-A1 MODULATORS OF CELLULAR ADHESION ITGB1, VCAM1, ITGB8 CYP19A1 3601/4885GPR88 203/4885HTT 4303/4885

“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.