SCHEMBL705715

SCHEMBL705715

C[C@H]1CN(c2ccc(C#N)cc2)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.53
NR1H2 P55055 4/20 0.51
NR1H3 Q13133 3/20 0.51
CHRM4 P08173 2/20 0.49
MAP4K4 O95819 1/20 0.48
GPR119 Q8TDV5 5/20 0.46
PDK2 Q15119 3/20 0.44
PDK1 Q15118 2/20 0.44
PDK3 Q15120 2/20 0.44
PDK4 Q16654 2/20 0.44
SUV39H2 Q9H5I1 1/20 0.44
HDAC1 Q13547 1/20 0.43
EGLN2 Q96KS0 1/20 0.43

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
SCHEMBL705714 1.00 AR (0.53) ARNR1H2NR1H3CHRM4MAP4K4
SCHEMBL20159043 0.86 CHRM2 (0.53) NR1H2NR1H3MAP4K4SUV39H2
SCHEMBL13279273 0.85 GPR119 (0.51) NR1H2NR1H3MAP4K4GPR119SUV39H2
SCHEMBL15441723 0.85 GPR119 (0.51) NR1H2NR1H3MAP4K4GPR119SUV39H2
SCHEMBL31181041 0.85 GPR119 (0.51) NR1H2NR1H3MAP4K4GPR119SUV39H2
SCHEMBL16580717 0.84 MAP4K4 (0.55) NR1H2NR1H3MAP4K4GPR119SUV39H2
SCHEMBL15378173 0.84 FAAH (0.55) NR1H2NR1H3CHRM4MAP4K4GPR119
SCHEMBL20139215 0.84 FAAH (0.55) NR1H2NR1H3CHRM4MAP4K4GPR119
SCHEMBL18377007 0.84 NR1H2 (0.53) NR1H2NR1H3MAP4K4GPR119SUV39H2
SCHEMBL5465391 0.84 MAP4K4 (0.55) NR1H2NR1H3MAP4K4GPR119SUV39H2

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023011596-A1 AMIDE COMPOUND AND USE THEREOF 中国药科大学 2023-02-09 WO disclosed
US-9187497-B2 Substituted pyrido[3,2-e]pyrrolo[1,2-a]pyrazines as inhibitors of poly(ADP-ribose)polymerase (PARP) TAKEDA PHAMACEUTICAL COMPANY LIMITED (JP) 2015-11-17 US disclosed
US-9187497-B2 Substituted pyrido[3,2-e]pyrrolo[1,2-a]pyrazines as inhibitors of poly(ADP-ribose)polymerase (PARP) TAKEDA PHAMACEUTICAL COMPANY LIMITED (JP) 2015-11-17 US disclosed
US-9187497-B2 Substituted pyrido[3,2-e]pyrrolo[1,2-a]pyrazines as inhibitors of poly(ADP-ribose)polymerase (PARP) TAKEDA PHAMACEUTICAL COMPANY LIMITED (JP) 2015-11-17 US disclosed
CN-102341394-B Poly (ADP-Ribose) Polymerase (PARP) Inhibitors TAKEDA PHARMACEUTICAL 2015-04-15 CN disclosed
US-20150031652-A1 POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-01-29 US disclosed
US-20150031652-A1 POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-01-29 US disclosed
US-20150031652-A1 POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-01-29 US disclosed
US-8822470-B2 Substituted pyrido[2,3-b]pyrazines TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-09-02 US disclosed
US-8822470-B2 Substituted pyrido[2,3-b]pyrazines TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-09-02 US disclosed
US-8124606-B2 Substituted 7,8,9,10-tetrahydro-5H-dipyrido[1,2-a:3′,2′-e]pyrazin-6(6aH)-ones TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-28 US disclosed
US-20110158989-A1 Poly (ADP-Ribose) Polymerase (PARP) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-06-30 US disclosed
US-20110158989-A1 Poly (ADP-Ribose) Polymerase (PARP) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-06-30 US disclosed
US-7928105-B2 Substituted 6a,7,8,9-tetrahydropyrido[3,2-e]pyrrolo[1,2-a]pyrazin-6(5H)-ones TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-04-19 US disclosed
US-7928105-B2 Substituted 6a,7,8,9-tetrahydropyrido[3,2-e]pyrrolo[1,2-a]pyrazin-6(5H)-ones TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-04-19 US disclosed
US-7928105-B2 Substituted 6a,7,8,9-tetrahydropyrido[3,2-e]pyrrolo[1,2-a]pyrazin-6(5H)-ones TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-04-19 US disclosed
US-20100190763-A1 Poly (ADP-Ribose) Polymerase (PARP) Inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-07-29 US disclosed
US-20100190763-A1 Poly (ADP-Ribose) Polymerase (PARP) Inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-07-29 US disclosed
US-20100190763-A1 Poly (ADP-Ribose) Polymerase (PARP) Inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-07-29 US disclosed
WO-2010085570-A1 Poly (ADP-Ribose) Polymerase (PARP) Inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-07-29 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 (3 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-20100190763-A1 Poly (ADP-Ribose) Polymerase (PARP) Inhibitors PARP1, PARP3, PARP2 AR 668/4885NR1H2 3203/4885NR1H3 3231/4885
US-20110158989-A1 Poly (ADP-Ribose) Polymerase (PARP) INHIBITORS PARP1, PARP3, PARP2 AR 668/4885NR1H2 3203/4885NR1H3 3231/4885
US-20150031652-A1 POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS PARP1, PARP3, PARP2 AR 668/4885NR1H2 3203/4885NR1H3 3231/4885

“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.