Sugi Predict

Sugi Predict / Compounds / SCHEMBL3581879

SCHEMBL3581879

SCHEMBL3581879

O=C1CCc2ccncc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 3/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP11B1 P15538 1/20 0.49
▸ SIGMAR1 Q99720 1/20 0.45
▸ PBRM1 Q86U86 1/20 0.44
▸ MAOA P21397 2/20 0.42
▸ MAOB P27338 2/20 0.42
▸ CHRNB2 P17787 1/20 0.41
▸ CHRNA4 P43681 1/20 0.41
▸ CDC25B P30305 1/20 0.41
▸ MKNK1 Q9BUB5 1/20 0.41
▸ CASP1 P29466 1/20 0.39
▸ CASP7 P55210 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ CYP19A1 P11511 4/20 0.38
▸ MIF P14174 2/20 0.38
▸ PKM P14618 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ PTGS2 P35354 2/20 0.38

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
SCHEMBL30082317 1.00 CYP11B2 (0.49) CYP11B2CYP1A2CYP11B1SIGMAR1PBRM1
Hydrochloric Acid SCHEMBL23406550 0.98 CYP11B2 (0.47) CYP11B2CYP1A2CYP11B1SIGMAR1PBRM1
SCHEMBL3599167 0.88 MAOA (0.53) CYP11B2CYP1A2CYP11B1SIGMAR1MAOA
SCHEMBL8123725 0.88 SIGMAR1 (0.57) CYP11B2CYP1A2CYP11B1SIGMAR1MAOA
SCHEMBL29649256 0.88 MAOA (0.53) CYP11B2CYP1A2CYP11B1SIGMAR1MAOA
Hydrochloric Acid SCHEMBL7258529 0.86 MAOA (0.52) CYP11B2CYP1A2CYP11B1SIGMAR1MAOA
SCHEMBL29792666 0.83 CYP1A2 (0.53) CYP11B2CYP1A2CYP11B1SIGMAR1PBRM1
SCHEMBL4323285 0.83 CYP1A2 (0.53) CYP11B2CYP1A2CYP11B1SIGMAR1PBRM1
SCHEMBL4053483 0.76 CES1 (0.61) CYP11B2CYP11B1MAOAMAOBCYP19A1
SCHEMBL25917557 0.74 SIGMAR1 (0.45) CYP11B2CYP11B1SIGMAR1MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240383915-A1 OXAZEPINE COMPOUNDS AND USES THEREOF IN THE TREATMENT OF CANCER GENENTECH, INC. (US) 2024-11-21 — — US disclosed
EP-4320132-A1 OXAZEPINE COMPOUNDS AND USES THEREOF IN THE TREATMENT OF CANCER Genentech, Inc. (US) 2024-02-14 — — EP disclosed
WO-2023180189-A1 MPRO TARGETING ANTIVIRAL COMPOUNDS EXSCIENTIA AI LIMITED (GB) 2023-09-28 — — WO disclosed
US-20230002426-A1 CHIRAL SYNTHESIS OF A TERTIARY ALCOHOL RECURIUM IP HOLDINGS, LLC 2023-01-05 — — US disclosed
WO-2022216762-A1 OXAZEPINE COMPOUNDS AND USES THEREOF IN THE TREATMENT OF CANCER GENENTECH, INC. (US) 2022-10-13 — — WO disclosed
EP-3368529-B1 HETEROARYLCARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2022-04-06 — — EP disclosed
EP-3368529-B1 HETEROARYLCARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2022-04-06 — — EP disclosed
WO-2022063333-A1 PYRIMIDINE CARBOXAMIDE COMPOUND AND APPLICATION THEREOF 上海美悦生物科技发展有限公司 2022-03-31 — — WO disclosed
WO-2022063197-A1 PYRIMIDINE CARBOXAMIDE COMPOUND AND APPLICATION THEREOF 上海美悦生物科技发展有限公司 2022-03-31 — — WO disclosed
US-11186564-B2 Dual NAV1.2/5HT2a inhibitors for treating CNS disorders SUNOVION PHARMACEUTICALS INC. (US) 2021-11-30 — — US disclosed
US-8247429-B2 Tricyclic compound and pharmaceutical use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-21 — — US disclosed
US-8247429-B2 Tricyclic compound and pharmaceutical use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-21 — — US disclosed
US-20100010038-A1 TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF 00 2010-01-14 — — US disclosed
US-20100010038-A1 TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF 00 2010-01-14 — — US disclosed
US-20100010038-A1 TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF 00 2010-01-14 — — US disclosed
WO-2009141096-A1 SUBSTITUTED SPIRO-ISOXAZOLINES BAYER CROPSCIENCE AG (DE) 2009-11-26 — — WO disclosed
EP-2098513-A1 TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2009-09-09 — — EP disclosed
EP-2098513-A1 TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2009-09-09 — — EP disclosed
US-20080076784-A1 Bicyclic, Nitrogen-Containing Heterocycles and Aromatase Inhibitors NOVARTIS AG (CH) 2008-03-27 — — US disclosed
US-20080076784-A1 Bicyclic, Nitrogen-Containing Heterocycles and Aromatase Inhibitors NOVARTIS AG (CH) 2008-03-27 — — 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 (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-20100010038-A1 TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF MTNR1A, MTNR1B, XDH CYP11B2 6/4885CYP1A2 103/4885CYP11B1 15/4885
US-20080076784-A1 Bicyclic, Nitrogen-Containing Heterocycles and Aromatase Inhibitors CYP19A1, NR5A1, HSD17B11 CYP11B2 6/4885CYP1A2 24/4885CYP11B1 5/4885
US-11186564-B2 Dual NAV1.2/5HT2a inhibitors for treating CNS disorders SCN2A, HTR2A, HTR2C CYP11B2 830/4885CYP1A2 201/4885CYP11B1 1671/4885
US-20240383915-A1 OXAZEPINE COMPOUNDS AND USES THEREOF IN THE TREATMENT OF CANCER OXA1L, GRIK4, GRIK5 CYP11B2 252/4885CYP1A2 1839/4885CYP11B1 449/4885
US-20230002426-A1 CHIRAL SYNTHESIS OF A TERTIARY ALCOHOL ADH1A, ADH1C, ADH5 CYP11B2 76/4885CYP1A2 102/4885CYP11B1 54/4885

“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.