SCHEMBL3171016

SCHEMBL3171016

CC(C)(C)OC(=O)N1CCC(Oc2cccc(Cl)c2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STS P08842 2/20 0.57
GPR119 Q8TDV5 5/20 0.55
EPHX2 P34913 1/20 0.53
KDM1A O60341 1/20 0.52
CACNB4 O00305 2/20 0.50
CACNA1A O00555 2/20 0.50
CACNA1G O43497 2/20 0.50
CACNG3 O60359 2/20 0.50
CACNA1F O60840 2/20 0.50
CACNA1H O95180 2/20 0.50
CACNB3 P54284 2/20 0.50
CACNA2D1 P54289 2/20 0.50
CACNG7 P62955 2/20 0.50
CACNA1B Q00975 2/20 0.50
CACNA1D Q01668 2/20 0.50
CACNB1 Q02641 2/20 0.50
CACNG1 Q06432 2/20 0.50
CACNB2 Q08289 2/20 0.50
CACNA1S Q13698 2/20 0.50
CACNA1C Q13936 2/20 0.50

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
SCHEMBL29731062 1.00 STS (0.57) STSGPR119EPHX2KDM1ACACNB4
SCHEMBL30876497 0.88 GPR119 (0.57) GPR119KDM1AHRH3USP30
SCHEMBL1809399 0.88 GPR119 (0.57) GPR119KDM1AHRH3USP30
SCHEMBL29120051 0.88 USP30 (0.51) STSGPR119EPHX2CACNB4CACNA1A
SCHEMBL7722029 0.87 STS (0.57) STSGPR119CACNB4CACNA1ACACNA1G
SCHEMBL6481542 0.86 GPR119 (0.62) GPR119EPHX2KDM1AHRH3USP30
SCHEMBL520668 0.86 KDM1A (0.58) GPR119KDM1AHRH3USP30
SCHEMBL29796027 0.86 KDM1A (0.58) GPR119KDM1AHRH3USP30
SCHEMBL13242428 0.86 USP30 (0.51) STSGPR119HRH3USP30TP53
SCHEMBL15994319 0.86 GPR119 (0.55) GPR119KDM1AHRH3USP30

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114555573-A Prostaglandin E2(PGE2)EP4Receptor antagonists 多曼治疗学公司 2022-05-27 CN disclosed
US-11186564-B2 Dual NAV1.2/5HT2a inhibitors for treating CNS disorders SUNOVION PHARMACEUTICALS INC. (US) 2021-11-30 US disclosed
US-20190194163-A1 DUAL NAV1.2/5HT2a INHIBITORS FOR TREATING CNS DISORDERS SUNOVION PHARMACEUTICALS INC. (US) 2019-06-27 US disclosed
WO-2018026371-A1 DUAL NAV1.2/5HT2A INHIBITORS FOR TREATING CNS DISORDERS SUNOVION PHARMACEUTICALS INC. (US) 2018-02-08 WO disclosed
EP-1465631-B1 PYRIMIDINE A2B SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE OSI PHARM INC (US) 2010-02-24 EP disclosed
US-7501407-B2 Pyrimidine A2B selective antagonist compounds, their synthesis and use OSI PHARMACEUTICALS, INC. (US) 2009-03-10 US disclosed
US-6916804-B2 Pyrimidine A2b selective antagonist compounds, their synthesis and use OSI PHARMACEUTICALS, INC. (US) 2005-07-12 US disclosed
US-20050119271-A1 Pyrimidine A2B selective antagonist compounds, their synthesis and use OSI PHARMACEUTICALS, INC. 2005-06-02 US disclosed
EP-1465631-A4 PYRIMIDINE A2B SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE OSI PHARM INC (US) 2005-03-30 EP disclosed
EP-1465631-A2 PYRIMIDINE A2B SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE OSI Pharmaceuticals, Inc. (US) 2004-10-13 EP disclosed
US-20030162764-A1 Pyrimidine A2b selective antagonist compounds, their synthesis and use OSI PHARMACEUTICALS, INC. 2003-08-28 US disclosed
WO-2003053366-A2 PYRIMIDINE A2B SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE OSI PHARMACEUTICALS, INC. (US) 2003-07-03 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 (4 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-20190194163-A1 DUAL NAV1.2/5HT2a INHIBITORS FOR TREATING CNS DISORDERS SCN2A, HTR2A, HTR2C STS 3307/4885GPR119 1545/4885EPHX2 2521/4885
US-20050119271-A1 Pyrimidine A2B selective antagonist compounds, their synthesis and use ADORA2B, ADORA2A, ADORA3 STS 2383/4885GPR119 263/4885EPHX2 604/4885
US-11186564-B2 Dual NAV1.2/5HT2a inhibitors for treating CNS disorders SCN2A, HTR2A, HTR2C STS 3307/4885GPR119 1545/4885EPHX2 2521/4885
US-20030162764-A1 Pyrimidine A2b selective antagonist compounds, their synthesis and use ADORA2B, ADORA2A, ADORA3 STS 1622/4885GPR119 206/4885EPHX2 533/4885

“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.