SCHEMBL20163351

SCHEMBL20163351

O=C1OCCC1CC[N+](=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.36
NOS1 P29475 2/20 0.36
NOS2 P35228 2/20 0.36
KCNH3 Q9ULD8 1/20 0.32
CYP19A1 P11511 1/20 0.30

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
SCHEMBL23461738 0.89 NOS3 (0.36) NOS3NOS1NOS2
SCHEMBL2034414 0.74
SCHEMBL10158351 0.72
SCHEMBL20715353 0.72
SCHEMBL29152239 0.72
SCHEMBL12633868 0.72
SCHEMBL2227801 0.72
SCHEMBL9818144 0.71 KCNH3 (0.38) KCNH3
SCHEMBL6691042 0.70 KCNH3 (0.35) KCNH3
SCHEMBL22982417 0.70 POLB (0.33) KCNH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119698412-A 5-HT2A receptor agonist, and preparation method and application thereof 上海翊石医药科技有限公司 2025-03-25 CN disclosed
WO-2025021120-A1 5-HT2A RECEPTOR AGONIST, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海翊石医药科技有限公司 2025-01-30 WO disclosed
CN-118574834-A Fused tetracyclic compounds, compositions and uses thereof 泰博生物科技股份有限公司 2024-08-30 CN disclosed
US-20240139164-A1 RAPAMYCIN ANALOGS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2024-05-02 US disclosed
US-20240131012-A1 RAPAMYCIN ANALOGS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2024-04-25 US disclosed
US-11819476-B2 Rapamycin analogs and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
US-11819476-B2 Rapamycin analogs and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
CN-115209897-A Rapamycin analogs and uses thereof 安纳库利亚治疗公司 2022-10-18 CN disclosed
EP-4069223-A1 RAPAMYCIN ANALOGS AND USES THEREOF Anakuria Therapeutics, Inc. (US) 2022-10-12 EP disclosed
US-20210186935-A1 RAPAMYCIN ANALOGS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2021-06-24 US disclosed
WO-2021113665-A1 RAPAMYCIN ANALOGS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2021-06-10 WO disclosed
US-20200255415-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF BREAST CANCER EISAI R&D MANAGEMENT CO., LTD. (JP) 2020-08-13 US disclosed
US-20200255415-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF BREAST CANCER EISAI R&D MANAGEMENT CO., LTD. (JP) 2020-08-13 US disclosed
EP-3544974-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF BREAST CANCER Eisai R&D Management Co., Ltd. (JP) 2019-10-02 EP disclosed
WO-2018098305-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF BREAST CANCER EISAI R&D MANAGEMENT CO., LTD. (JP) 2018-05-31 WO disclosed
WO-2018098305-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF BREAST CANCER EISAI R&D MANAGEMENT CO., LTD. (JP) 2018-05-31 WO disclosed
US-20180141913-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE EISAI R & D MANAGEMENT CO., LTD. (JP) 2018-05-24 US disclosed
US-20180141913-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE EISAI R & D MANAGEMENT CO., LTD. (JP) 2018-05-24 US disclosed
US-20180141913-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE EISAI R & D MANAGEMENT CO., LTD. (JP) 2018-05-24 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 (6 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-20180141913-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE BRCA1, ESR2, ESR1 NOS3 4669/4885NOS1 4751/4885NOS2 4739/4885
US-20210186935-A1 RAPAMYCIN ANALOGS AND USES THEREOF RICTOR, MTOR, RPTOR NOS3 2882/4885NOS1 3191/4885NOS2 3374/4885
US-20240139164-A1 RAPAMYCIN ANALOGS AND USES THEREOF RICTOR, MTOR, RPTOR NOS3 2882/4885NOS1 3191/4885NOS2 3374/4885
US-20240131012-A1 RAPAMYCIN ANALOGS AND USES THEREOF RICTOR, MTOR, RPTOR NOS3 2882/4885NOS1 3191/4885NOS2 3374/4885
US-11819476-B2 Rapamycin analogs and uses thereof RICTOR, MTOR, RPTOR NOS3 3695/4885NOS1 3075/4885NOS2 3765/4885
US-20200255415-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF BREAST CANCER BRCA1, ESR2, ESR1 NOS3 4589/4885NOS1 4704/4885NOS2 4683/4885

“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.