SCHEMBL2925583

SCHEMBL2925583

O=C(O)N1CCC(N2CCc3ccccc3C2)CC1

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 9/20 0.53
SLC18A3 Q16572 1/20 0.51
KCNH2 Q12809 2/20 0.50
HRH3 Q9Y5N1 2/20 0.50
KEAP1 Q14145 1/20 0.48
NOTUM Q6P988 1/20 0.47
TMEM97 Q5BJF2 1/20 0.47
SIGMAR1 Q99720 1/20 0.47

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
SCHEMBL28612826 0.94 ADRA1A (0.54) ADRA1ASLC18A3KCNH2HRH3KEAP1
SCHEMBL2933131 0.91 HRH3 (0.55) ADRA1AKCNH2HRH3SIGMAR1
SCHEMBL26962906 0.82 ADRA1A (0.46) ADRA1A
SCHEMBL18186148 0.82 ADRA1A (0.52) ADRA1AHRH3NOTUM
SCHEMBL2573737 0.82 ADRA1A (0.52) ADRA1AHRH3NOTUM
SCHEMBL26962994 0.82 FAAH (0.45) ADRA1A
SCHEMBL2563590 0.82 ADRA1A (0.46) ADRA1A
SCHEMBL28286738 0.82 SLC18A3 (0.61) SLC18A3KCNH2HRH3
SCHEMBL29501422 0.81 SLC18A3 (0.48) ADRA1ASLC18A3KCNH2HRH3KEAP1
SCHEMBL22418711 0.81 ADRA1A (0.61) ADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113330009-B Azacyclic compounds, preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2024-02-09 CN disclosed
CN-113330009-A Nitrogen heterocyclic compound, preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2021-08-31 CN disclosed
US-10961221-B2 Substituted piperidinyl tetrahydroquinolines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-03-30 US disclosed
WO-2020165031-A1 SUBSTITUTED ISOQUINOLINE-PIPERIDINYLMETHANONE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2020-08-20 WO disclosed
US-10323020-B2 Substituted piperidinyl tetrahydroquinolines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-06-18 US disclosed
US-20180141931-A1 SUBSTITUTED PIPERIDINYL TETRAHYDROQUINOLINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-05-24 US disclosed
US-20180141930-A1 SUBSTITUTED PIPERIDINYL TETRAHYDROQUINOLINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-05-24 US disclosed
US-9944621-B2 Substituted piperidinyl tetrahydroquinolines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-04-17 US disclosed
US-9624198-B2 Substituted piperidinyltetrahydroquinolines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-04-18 US disclosed
US-20160318901-A1 SUBSTITUTED PIPERIDINYL-TETRAHYDROQUINOLINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-11-03 US disclosed
US-20160304491-A1 SUBSTITUTED PIPERIDINYLTETRAHYDROQUINOLINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-10-20 US disclosed
EP-2027132-B1 THIAZOLO-PYRAMIDINE / PYRIDINE UREA DERIVATIVES AS ADENOSINE A2B RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-09-15 EP disclosed
EP-2027132-A1 THIAZOLO-PYRAMIDINE / PYRIDINE UREA DERIVATIVES AS ADENOSINE A2B RECEPTOR ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2009-02-25 EP disclosed
WO-2007134958-A1 THIAZOLO-PYRAMIDINE / PYRIDINE UREA DERIVATIVES AS ADENOSINE A2B RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-11-29 WO disclosed
US-20070270433-A1 Thiazolo-pyrimidine/pyridine urea derivatives BRINKMAN JOHN A 2007-11-22 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 (7 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-20180141931-A1 SUBSTITUTED PIPERIDINYL TETRAHYDROQUINOLINES TNNI3, TNNC1, TNNT2 ADRA1A 2094/4885SLC18A3 2410/4885KCNH2 1264/4885
US-20160318901-A1 SUBSTITUTED PIPERIDINYL-TETRAHYDROQUINOLINES TNNI3, TNNC1, TNNT2 ADRA1A 1852/4885SLC18A3 2280/4885KCNH2 1297/4885
US-10323020-B2 Substituted piperidinyl tetrahydroquinolines TNNI3, TNNC1, TNNT2 ADRA1A 2094/4885SLC18A3 2410/4885KCNH2 1264/4885
US-10961221-B2 Substituted piperidinyl tetrahydroquinolines TNNI3, TNNC1, TNNT2 ADRA1A 2094/4885SLC18A3 2410/4885KCNH2 1264/4885
US-20180141930-A1 SUBSTITUTED PIPERIDINYL TETRAHYDROQUINOLINES TNNI3, TNNC1, TNNT2 ADRA1A 2094/4885SLC18A3 2410/4885KCNH2 1264/4885
US-20070270433-A1 Thiazolo-pyrimidine/pyridine urea derivatives ADORA2B, UTS2R, TBXA2R ADRA1A 113/4885SLC18A3 2935/4885KCNH2 1270/4885
US-20160304491-A1 SUBSTITUTED PIPERIDINYLTETRAHYDROQUINOLINES TNNI3, TNNC1, PRPH ADRA1A 1949/4885SLC18A3 2422/4885KCNH2 1183/4885

“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.