SCHEMBL13728992

SCHEMBL13728992

CC(C)c1ccc(-c2ccccc2F)nc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 5/20 0.49
CYP11B2 P19099 3/20 0.49
NPC1 O15118 3/20 0.49
L3MBTL1 Q9Y468 1/20 0.44
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
ALOX5AP P20292 2/20 0.43
FEN1 P39748 2/20 0.43
RAB9A P51151 1/20 0.43
IDO1 P14902 1/20 0.42
MPL P40238 1/20 0.41
GRM2 Q14416 1/20 0.41
MAPT P10636 1/20 0.40
DHODH Q02127 1/20 0.40
CRHR1 P34998 1/20 0.39

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
SCHEMBL18545116 0.81 IDO1 (0.43) CYP11B1CYP11B2NPC1CASP3SENP8
SCHEMBL28115690 0.80 L3MBTL1 (0.39) CYP11B1CYP11B2L3MBTL1CASP3SENP8
SCHEMBL2609360 0.79 IDO1 (0.43) CYP11B1CYP11B2L3MBTL1ALOX5APFEN1
SCHEMBL24453728 0.79 KDM1A (0.48) CYP11B1CYP11B2ALOX5APFEN1RAB9A
SCHEMBL28115668 0.79 TGFBR1 (0.51)
SCHEMBL13561342 0.77 METAP2 (0.47) CYP11B1CYP11B2L3MBTL1ALOX5APFEN1
SCHEMBL13602061 0.77 CCR1 (0.46) CYP11B1CYP11B2NPC1RAB9AMAPT
SCHEMBL12320877 0.77 CYP11B1 (0.56) CYP11B1CYP11B2NPC1L3MBTL1CASP3
SCHEMBL5934680 0.77 MAPT (0.54) NPC1RAB9AMAPT
SCHEMBL13209283 0.76 FEN1 (0.50) NPC1L3MBTL1CASP3SENP8SENP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220162186-A1 PROSTAGLANDIN RECEPTOR EP2 ANTAGONISTS, DERIVATIVES, AND USES RELATED THERETO EMORY UNIVERSITY 2022-05-26 US disclosed
US-20090203705-A1 Spiro Compounds As NPY Y5 Receptor Antagonists GLAXO GROUP LIMITED (GB) 2009-08-13 US disclosed
US-20090203705-A1 Spiro Compounds As NPY Y5 Receptor Antagonists GLAXO GROUP LIMITED (GB) 2009-08-13 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-20090203705-A1 Spiro Compounds As NPY Y5 Receptor Antagonists NPY4R, NPY1R, NPY5R CYP11B1 826/4885CYP11B2 804/4885NPC1 730/4885
US-20220162186-A1 PROSTAGLANDIN RECEPTOR EP2 ANTAGONISTS, DERIVATIVES, AND USES RELATED THERETO PTGER2, PTGES2, PTGES CYP11B1 1058/4885CYP11B2 490/4885NPC1 4226/4885

“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.