SCHEMBL3885846

SCHEMBL3885846

O=C1CCN(C(=O)O)CC1c1ccc(F)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
ATM Q13315 2/20 0.39
FADS1 O60427 1/20 0.38
NOTUM Q6P988 1/20 0.37
TACR1 P25103 2/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
PAX8 Q06710 1/20 0.35
MAPT P10636 2/20 0.35
HRH3 Q9Y5N1 1/20 0.35
MMP1 P03956 1/20 0.35
MMP13 P45452 1/20 0.35
CACNA1B Q00975 1/20 0.35
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD11B1 P28845 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
SCHEMBL4483494 0.80 RORC (0.47) MMP13
SCHEMBL26130361 0.79 HTT (0.45) RAB9ANPC1ATMALDH1A1GAA
SCHEMBL5644485 0.78 HSD11B1 (0.46) RAB9ANPC1ATMALDH1A1GAA
SCHEMBL2937123 0.73 RAB9A (0.67) RAB9ANPC1ATMMAPTALDH1A1
SCHEMBL2937126 0.73 RAB9A (0.67) RAB9ANPC1ATMMAPTALDH1A1
SCHEMBL4099888 0.72 RAB9A (0.57) RAB9ANPC1ATMMAPTALDH1A1
SCHEMBL10966005 0.72 ALDH1A1 (0.44) ALDH1A1HSD11B1
SCHEMBL27686197 0.72 RORC (0.34) RAB9ANPC1TACR1MAPTMMP1
SCHEMBL6440867 0.71 TACR1 (0.65) TACR1
SCHEMBL3370271 0.70 MEN1 (0.49) RAB9ANPC1ATMFADS1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3530655-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2022-02-09 EP disclosed
EP-3287441-B1 ACYLATED 4-AMINOPIPERIDINES AS INHIBITORS OF SERINE PALMITOYLTRANSFERASE TAKEDA PHARMACEUTICALS CO (JP) 2021-06-09 EP disclosed
US-10676461-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-06-09 US disclosed
US-20190263784-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-08-29 US disclosed
EP-3530655-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2019-08-28 EP disclosed
US-10189785-B2 Heterocyclic compound TAKEDA PHARMACEUTICALS COMPANY LIMITED (JP) 2019-01-29 US disclosed
US-20180170874-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-06-21 US disclosed
CN-107848971-A Heterocyclic compound 武田药品工业株式会社 2018-03-27 CN disclosed
EP-3287441-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2018-02-28 EP disclosed
US-20090221611-A1 Fused Triazole Tachykinin Receptor Antagonists MERCK SHARP & DOHME CORP. 2009-09-03 US disclosed
EP-1976527-A4 FUSED TRIAZOLE TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2009-04-22 EP disclosed
EP-1817285-A4 CYCLOALKYL KETO PIPERIDINE TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2009-01-21 EP disclosed
EP-1976527-A2 FUSED TRIAZOLE TACHYKININ RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2008-10-08 EP disclosed
CN-101061104-A Piperidinyl piperidine tachykinin receptor antagonists MERCK & CO INC (US) 2007-10-24 CN disclosed
EP-1817285-A2 CYCLOALKYL KETO PIPERIDINE TACHYKININ RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2007-08-15 EP disclosed
WO-2007081897-A2 FUSED TRIAZOLE TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2007-07-19 WO disclosed
WO-2006073589-A2 CYCLOALKYL KETO PIPERIDINE TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2006-07-13 WO 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 (5 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-10189785-B2 Heterocyclic compound SPTLC1, SPTLC2, NPC1 RAB9A 680/4885NPC1 3/4885ATM 4063/4885
US-10676461-B2 Heterocyclic compound SPTLC1, SPTLC3, SPTLC2 RAB9A 717/4885NPC1 4/4885ATM 4460/4885
US-20180170874-A1 HETEROCYCLIC COMPOUND SPTLC1, SPTLC2, NPC1 RAB9A 680/4885NPC1 3/4885ATM 4063/4885
US-20190263784-A1 HETEROCYCLIC COMPOUND SPTLC1, SPTLC3, SPTLC2 RAB9A 717/4885NPC1 4/4885ATM 4460/4885
US-20090221611-A1 Fused Triazole Tachykinin Receptor Antagonists TACR1, TACR2, NPSR1 RAB9A 3942/4885NPC1 2072/4885ATM 2991/4885

“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.