SCHEMBL900113

SCHEMBL900113

O=C(O)N1C[C@@H]2C[C@H]1CN2

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 13/20 0.65
CHRNA4 P43681 13/20 0.65
CHRNA3 P32297 4/20 0.65
CHRNB3 Q05901 1/20 0.65
CHRNA6 Q15825 1/20 0.65
CHRNB4 P30926 3/20 0.37
CHRNA7 P36544 3/20 0.37

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
SCHEMBL4058865 1.00 CHRNB2 (0.65) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
SCHEMBL335652 1.00 CHRNB2 (0.65) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
SCHEMBL2123406 1.00 CHRNB2 (0.65) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
SCHEMBL6339022 1.00 CHRNB2 (0.65) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
Hydrochloric Acid SCHEMBL23410453 0.98 CHRNB2 (0.62) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
Hydrochloric Acid SCHEMBL13518560 0.98 CHRNB2 (0.62) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
Hydrochloric Acid SCHEMBL16212072 0.98 CHRNB2 (0.62) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
SCHEMBL12356559 0.83 CHRNB2 (0.65) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
SCHEMBL1008776 0.83 CHRNB2 (0.65) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
SCHEMBL13050975 0.83 CHRNB2 (0.65) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11358949-B2 Carbamate and urea compounds as multikinase inhibitors ANGEX PHARMACEUTICAL, INC. (US) 2022-06-14 US claimed
CN-114249735-A PARP inhibitor intermediate crystal form and preparation method and application thereof 江西青峰药业有限公司 2022-03-29 CN claimed
US-20210163456-A1 CERTAIN PLADIENOLIDE COMPOUNDS AND METHODS OF USE EISAI R&D MANAGEMENT CO., LTD. (JP) 2021-06-03 US claimed
US-20210163445-A1 CARBAMATE AND UREA COMPOUNDS AS MULTIKINASE INHIBITORS ANGEX PHARMACEUTICAL, INC. 2021-06-03 US claimed
WO-2025052649-A1 METHOD FOR SELECTIVE PRODUCTION OF SINGLE AXIALLY CHIRAL COMPOUND アステラス製薬株式会社 2025-03-13 WO disclosed
US-20240239797-A1 AKT1 MODULATORS ALTEROME THERAPEUTICS, INC. 2024-07-18 US disclosed
US-12037345-B2 Heterobicyclic compounds for inhibiting the activity of SHP2 TAIHO PHARMACEUTICAL CO., LTD. (JP) 2024-07-16 US disclosed
US-20240228511-A1 SUBSTITUTED FUSED AZINES AS KRAS G12D INHIBITORS ELI LILLY AND COMPANY 2024-07-11 US disclosed
US-12030889-B2 Imidazopyridazine and imidazopyridine compounds and uses thereof INCYTE CORPORATION (US) 2024-07-09 US disclosed
US-20240217978-A1 COMPOUND AS ADENOSINE A2a RECEPTOR ANTAGONIST AND PHARMACEUTICAL COMPOSITION COMPRISING SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2024-07-04 US disclosed
US-20240217990-A1 THIENOPYRROLE COMPOUNDS GILEAD SCIENCES, INC. 2024-07-04 US disclosed
US-20240208956-A1 1,3,4-OXADIAZOLE THIOCARBONYL COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2024-06-27 US disclosed
EP-1242427-B1 NOVEL PIPERIDINE AND PIPERAZINE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2003-08-13 EP disclosed
US-6555542-B1 Factor Xa (FXa); useful as anticoagulants in the treatment of cardiovascular diseases associated with thrombosis BRISTOL-MYERS SQUIBB COMPANY 2003-04-29 US disclosed
US-20030060627-A1 8-Phenyl-6, 9-dihydro-[1,2,4] triazolo[3,4-i]purin-5-one derivatives ALMIRALL PRODESFARMA, S.A. (ES) 2003-03-27 US disclosed
US-20030013721-A1 Novel piperidine and piperazine derivatives ASTRAZENECA AB (SE) 2003-01-16 US disclosed
EP-1242427-A1 NOVEL PIPERIDINE AND PIPERAZINE DERIVATIVES AstraZeneca AB (SE) 2002-09-25 EP disclosed
US-20020049212-A1 Benzimidazole compounds as ORL1-receptor agonists PFIZER PRODUCTS INC. 2002-04-25 US disclosed
EP-1122257-A1 Benzimidazole compounds as ORL1-receptor agonists PFIZER INC. (US) 2001-08-08 EP disclosed
WO-2001046200-A1 NOVEL PIPERIDINE AND PIPERAZINE DERIVATIVES ASTRAZENECA AB (SE) 2001-06-28 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 (13 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-20240239797-A1 AKT1 MODULATORS AKT1S1, AKT1, AKT2 CHRNB2 4631/4885CHRNA4 4823/4885CHRNA3 4753/4885
US-20210163456-A1 CERTAIN PLADIENOLIDE COMPOUNDS AND METHODS OF USE PLAAT5, PLAAT3, PLAAT4 CHRNB2 4077/4885CHRNA4 4660/4885CHRNA3 4387/4885
US-20020049212-A1 Benzimidazole compounds as ORL1-receptor agonists OPRL1, ORMDL3, OGFRL1 CHRNB2 354/4885CHRNA4 147/4885CHRNA3 100/4885
US-20030060627-A1 8-Phenyl-6, 9-dihydro-[1,2,4] triazolo[3,4-i]purin-5-one derivatives HYOU1, CHN2, PURB CHRNB2 677/4885CHRNA4 1338/4885CHRNA3 1119/4885
US-20030013721-A1 Novel piperidine and piperazine derivatives IL5, VIP, EP300 CHRNB2 4132/4885CHRNA4 3117/4885CHRNA3 3571/4885
US-20240217990-A1 THIENOPYRROLE COMPOUNDS SSB, TPMT, LCP2 CHRNB2 4832/4885CHRNA4 4756/4885CHRNA3 4571/4885
US-20240228511-A1 SUBSTITUTED FUSED AZINES AS KRAS G12D INHIBITORS KRAS, NRAS, TP53 CHRNB2 4502/4885CHRNA4 4670/4885CHRNA3 4580/4885
US-12030889-B2 Imidazopyridazine and imidazopyridine compounds and uses thereof ALK, ABL2, ACVR2A CHRNB2 742/4885CHRNA4 1586/4885CHRNA3 1770/4885
US-11358949-B2 Carbamate and urea compounds as multikinase inhibitors UCK2, ULK2, CDK9 CHRNB2 4796/4885CHRNA4 4781/4885CHRNA3 4655/4885
US-20240217978-A1 COMPOUND AS ADENOSINE A2a RECEPTOR ANTAGONIST AND PHARMACEUTICAL COMPOSITION COMPRISING SAME ADORA2A, ADORA1, ADORA2B CHRNB2 621/4885CHRNA4 572/4885CHRNA3 535/4885
US-20240208956-A1 1,3,4-OXADIAZOLE THIOCARBONYL COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME HDAC6, HDAC1, HDAC11 CHRNB2 3664/4885CHRNA4 2863/4885CHRNA3 2234/4885
US-20210163445-A1 CARBAMATE AND UREA COMPOUNDS AS MULTIKINASE INHIBITORS UCK2, ULK2, CDK9 CHRNB2 4796/4885CHRNA4 4781/4885CHRNA3 4655/4885
US-12037345-B2 Heterobicyclic compounds for inhibiting the activity of SHP2 PTPN1, PTPN9, PTPN7 CHRNB2 2827/4885CHRNA4 3154/4885CHRNA3 3180/4885

“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.