SCHEMBL3552536

SCHEMBL3552536

O=C(ON1CCC(c2ccc(F)cc2)C1)C(=O)ON1CCC(c2ccc(F)cc2)C1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.49
NPC1 O15118 2/20 0.49
ATM Q13315 1/20 0.49
MAPT P10636 2/20 0.47
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PARP10 Q53GL7 2/20 0.43
FAAH O00519 4/20 0.40
DRD2 P14416 2/20 0.40
PROKR1 Q8TCW9 1/20 0.39
AOC3 Q16853 1/20 0.38
CCR1 P32246 1/20 0.38
COMT P21964 1/20 0.38
PARP14 Q460N5 1/20 0.38
NOTUM Q6P988 1/20 0.38
USP5 P45974 1/20 0.37

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
SCHEMBL3543928 0.84 RAB9A (0.49) RAB9ANPC1MAPTALDH1A1GAA
SCHEMBL3546582 0.84 NPC1 (0.46) RAB9ANPC1MAPTSMN1; SMN2DRD2
SCHEMBL3543101 0.84 HTR2C (0.43) ALDH1A1GAAPROKR1AOC3NOTUM
SCHEMBL12521045 0.78 MEN1 (0.45)
SCHEMBL27562125 0.76 PARP10 (0.44) RAB9ANPC1ATMMAPTALDH1A1
SCHEMBL829223 0.75 NOTUM (0.39) RAB9ANPC1MAPTSMN1; SMN2NOTUM
SCHEMBL2937126 0.74 RAB9A (0.67) RAB9ANPC1ATMMAPTALDH1A1
SCHEMBL2937123 0.74 RAB9A (0.67) RAB9ANPC1ATMMAPTALDH1A1
SCHEMBL22638731 0.74 HTR2C (0.42) ALDH1A1GAAPROKR1AOC3NOTUM
SCHEMBL15571861 0.74 MAPT (0.43) RAB9ANPC1ATMMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7666888-B2 Substituted azole aromatic heterocycles as inhibitors of 11β-HSD-1 AMGEN INC. (US) 2010-02-23 US disclosed
EP-2051977-A2 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF LLbeta-HSD-1 Amgen Inc. (US) 2009-04-29 EP disclosed
WO-2008011453-A2 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF LLβ-HSD-1 AMGEN INC. (US) 2008-01-24 WO disclosed
US-20080021022-A1 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF 11BETA-HSD-1 AMGEN INC. 2008-01-24 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-20080021022-A1 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF 11BETA-HSD-1 HSD17B1, HSD11B1, HSD17B11 RAB9A 2914/4885NPC1 1594/4885ATM 3533/4885

“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.