SCHEMBL7086563

SCHEMBL7086563

CCOC(=O)c1ncn(Cc2ccccc2)c1CC1CCCCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.43
EED O75530 1/20 0.43
RECQL P46063 1/20 0.43
MAPK10 P53779 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GAA P10253 1/20 0.43
PKM P14618 1/20 0.43
TSHR P16473 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
ELANE P08246 1/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 1/20 0.41
RAD52 P43351 1/20 0.41
EPHX2 P34913 1/20 0.41
GABRA1 P14867 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 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
SCHEMBL7083590 0.85 PKM (0.56) SMN1; SMN2GAAPKMTSHRALDH1A1
SCHEMBL7682387 0.83 MAPT (0.41) TSHRL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL7682379 0.78 KDM4E (0.43) SMN1; SMN2GAAL3MBTL1ALDH1A1MEN1
SCHEMBL4958152 0.78 TSHR (0.54) CYP19A1EEDRECQLMAPK10SMN1; SMN2
SCHEMBL2145110 0.77 TSHR (0.52) CYP19A1EEDRECQLMAPK10SMN1; SMN2
SCHEMBL1753177 0.76 MAPK1 (0.55) CYP19A1EEDRECQLMAPK10SMN1; SMN2
SCHEMBL6161594 0.75 GAA (0.41) GAAPKMTSHR
SCHEMBL2145170 0.75 CYP19A1 (0.53) CYP19A1EEDRECQLMAPK10SMN1; SMN2
SCHEMBL17291997 0.73 LMNA (0.50) TSHRELANEALDH1A1MEN1KMT2A
SCHEMBL11213556 0.70 SMN1; SMN2 (0.55) CYP19A1RECQLMAPK10SMN1; SMN2GAA

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-20030195240-A1 Pharmaceutical compositions comprising proton pump inhibitors and gastrin/cholecystokinin receptor ligands JAMES BLACK FOUNDATION LIMITED (GB) 2003-10-16 US disclosed
US-6479531-B1 Gastrin and cholecystokinin receptor ligands JAMES BLACK FOUNDATION LIMITED (GB) 2002-11-12 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-20030195240-A1 Pharmaceutical compositions comprising proton pump inhibitors and gastrin/cholecystokinin receptor ligands GIPR, CCKAR, CCKBR CYP19A1 2102/4885EED 3016/4885RECQL 1664/4885

“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.