SCHEMBL2711961

SCHEMBL2711961

Nc1cncc(N2CCOCC2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOS3 P29474 1/20 0.49
▸ NOS1 P29475 1/20 0.49
▸ LGMN Q99538 2/20 0.46
▸ LRRK2 Q5S007 1/20 0.46
▸ CD63 P08962 1/20 0.43
▸ SYK P43405 1/20 0.43
▸ LMNA P02545 1/20 0.42
▸ CYP11B2 P19099 1/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ MAPT P10636 3/20 0.42
▸ GAA P10253 1/20 0.42
▸ CHRNB2 P17787 1/20 0.42
▸ CHRNA4 P43681 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ ADK P55263 1/20 0.42
▸ DHFR P00374 1/20 0.41

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
Hydrochloric Acid SCHEMBL2195037 0.98 NOS3 (0.48) NOS3NOS1LGMNLRRK2CD63
SCHEMBL12205229 0.86 LRRK2 (0.51) NOS3NOS1LGMNLRRK2LMNA
SCHEMBL23770737 0.82 CHRNB2 (0.47) LMNAMAPTGAACHRNB2CHRNA4
SCHEMBL24534142 0.82 CHRNB2 (0.47) MAPTGAACHRNB2CHRNA4NPC1
SCHEMBL15884424 0.81 MEN1 (0.48) LMNAMAPTGAACHRNB2CHRNA4
SCHEMBL1172028 0.78 LGMN (0.53) LGMNLMNASMN1; SMN2MAPTGAA
SCHEMBL2712064 0.78 LGMN (0.53) LGMNLMNASMN1; SMN2MAPTGAA
SCHEMBL19118283 0.78 CHRNB2 (0.64) NOS3NOS1LRRK2LMNACYP11B2
SCHEMBL1532956 0.78 CHRNB2 (0.57) NOS3NOS1LRRK2LMNACYP11B2
SCHEMBL13778343 0.78 NOS3 (0.52) NOS3NOS1LRRK2LMNACYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12410183-B2 Sars-cov2 main protease inhibitors GILEAD SCIENCES, INC. (US) 2025-09-09 — — US disclosed
EP-4565574-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. (US) 2025-06-11 — — EP disclosed
CN-119731159-A SARS-CoV2 main proteinase inhibitor 吉利德科学公司 2025-03-28 — — CN disclosed
US-20250042915-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. 2025-02-06 — — US disclosed
US-12091420-B2 SARS-COV2 main protease inhibitors GILEAD SCIENCES, INC. (US) 2024-09-17 — — US disclosed
US-20240239807-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. 2024-07-18 — — US disclosed
WO-2024133200-A1 P2X3 RECEPTOR ANTAGONISTS RECORDATI INDUSTRIA CHIMICA E FARMACEUTICA SPA (IT) 2024-06-27 — — WO disclosed
US-20240116946-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. 2024-04-11 — — US disclosed
WO-2024031089-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. (US) 2024-02-08 — — WO disclosed
CN-112584898-B P2X 3 Receptor antagonists 瑞蔻达蒂化学和制药工业股份有限公司 2024-01-26 — — CN disclosed
CN-102625799-A Heterocyclic compounds and their uses AMGEN INC 2012-08-01 — — CN disclosed
EP-2445886-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES Amgen, Inc (US) 2012-05-02 — — EP disclosed
US-20110172230-A1 UREA COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2011-07-14 — — US disclosed
US-20110172230-A1 UREA COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2011-07-14 — — US disclosed
US-20100331293-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2010-12-30 — — US disclosed
US-20100331293-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2010-12-30 — — US disclosed
US-20100331293-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2010-12-30 — — US disclosed
WO-2010151791-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2010-12-29 — — WO disclosed
WO-2010151791-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2010-12-29 — — WO disclosed
EP-2065369-A1 UREA COMPOUND OR SALT THEREOF Astellas Pharma Inc. (JP) 2009-06-03 — — EP 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-20250042915-A1 SARS-COV2 MAIN PROTEASE INHIBITORS ACE2, TMPRSS2, ACE NOS3 3268/4885NOS1 3486/4885LGMN 272/4885
US-12091420-B2 SARS-COV2 main protease inhibitors ACE2, TMPRSS2, ACE NOS3 3268/4885NOS1 3486/4885LGMN 272/4885
US-20240116946-A1 SARS-COV2 MAIN PROTEASE INHIBITORS ACE2, TMPRSS2, ACE NOS3 3268/4885NOS1 3486/4885LGMN 272/4885
US-12410183-B2 Sars-cov2 main protease inhibitors ACE2, TMPRSS2, ACE NOS3 3268/4885NOS1 3486/4885LGMN 272/4885
US-20240239807-A1 SARS-COV2 MAIN PROTEASE INHIBITORS ACE2, TMPRSS2, ACE NOS3 3268/4885NOS1 3486/4885LGMN 272/4885
US-20100331293-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, MALT1, BCL9 NOS3 1922/4885NOS1 2305/4885LGMN 3202/4885
US-20110172230-A1 UREA COMPOUND OR SALT THEREOF FAAH, FAAH2, UTS2R NOS3 726/4885NOS1 642/4885LGMN 2939/4885

“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.

Send feedback