SCHEMBL21789544

SCHEMBL21789544

CC(C)(C)OC(=O)N1[C@H](C(=O)O)CC2(CN3C(=O)c4ccccc4C3=O)C[C@@H]12

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.41
BRD4 O60885 5/20 0.37
GPR119 Q8TDV5 2/20 0.36
KDM4E B2RXH2 1/20 0.35
PKM P14618 1/20 0.35
KDM1A O60341 1/20 0.35
CA12 O43570 1/20 0.35
CA9 Q16790 1/20 0.35
ACHE P22303 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
STS P08842 1/20 0.34
KLK7 P49862 1/20 0.34

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
SCHEMBL20487871 1.00 ABCB1 (0.41) ABCB1BRD4GPR119KDM4EPKM
SCHEMBL21790250 1.00 ABCB1 (0.41) ABCB1BRD4GPR119KDM4EPKM
SCHEMBL21790209 0.88 MITF (0.42) ABCB1RAB9AKLK7
SCHEMBL29468279 0.88 MITF (0.42) ABCB1RAB9AKLK7
SCHEMBL38655199 0.81 KDM1A (0.39) BRD4GPR119KDM4EPKMKDM1A
SCHEMBL29468433 0.81 CFD (0.46)
SCHEMBL18591196 0.81 CFD (0.46)
SCHEMBL29868893 0.79 CFD (0.39) MEN1KMT2A
SCHEMBL29468349 0.79 CFD (0.42)
SCHEMBL25929965 0.79 CFD (0.42)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200071301-A1 Aryi, Heteroaryl, and Heterocyclic Pharmaceutical Compounds for Treatment of Medical Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2020-03-05 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-20200071301-A1 Aryi, Heteroaryl, and Heterocyclic Pharmaceutical Compounds for Treatment of Medical Disorders CFD, TFPI, CFH ABCB1 729/4885BRD4 4192/4885GPR119 1948/4885

“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.