SCHEMBL9963226

SCHEMBL9963226

CC(C)C(C)n1cccn1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 1/20 0.32
HRH1 P35367 1/20 0.31
KCNH2 Q12809 1/20 0.31

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
SCHEMBL18994385 0.86 NOS1 (0.31) NOS1HRH1KCNH2
SCHEMBL6440593 0.81 NOS1 (0.34) NOS1HRH1KCNH2
SCHEMBL12863924 0.80 NOS1 (0.36) NOS1HRH1KCNH2
SCHEMBL5713342 0.79 NOS1 (0.34) NOS1HRH1KCNH2
SCHEMBL174399 0.79
SCHEMBL6022879 0.77
Bromide SCHEMBL27878723 0.77
SCHEMBL18310667 0.76 NOS1 (0.31) NOS1HRH1KCNH2
SCHEMBL21606214 0.76 NOS1 (0.31) NOS1HRH1KCNH2
SCHEMBL11493460 0.76 NOS1 (0.34) NOS1HRH1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11840529-B2 Substituted pyrimidines as LRKK2 inhibitors DENALI THERAPEUTICS INC. (US) 2023-12-12 US disclosed
US-11767341-B2 Lincosamide antibiotics and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-09-26 US disclosed
US-11767341-B2 Lincosamide antibiotics and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-09-26 US disclosed
US-11566039-B2 Lincosamide antibiotics and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-01-31 US disclosed
US-20220073554-A1 LINCOSAMIDE ANTIBIOTICS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2022-03-10 US disclosed
US-11198693-B2 Functionalized heterocycles as antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2021-12-14 US disclosed
US-11058678-B2 Substituted heterocycles as antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2021-07-13 US disclosed
US-20210087215-A1 LINCOSAMIDE ANTIBIOTICS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2021-03-25 US disclosed
US-20200165249-A1 FUNCTIONALIZED HETEROCYCLES AS ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2020-05-28 US disclosed
US-20190224188-A1 SUBSTITUTED HETEROCYCLES AS ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2019-07-25 US disclosed
US-20180194780-A1 BRIDGED BICYCLIC KALLIKREIN INHIBITORS GLOBAL BLOOD THERAPEUTICS, INC. 2018-07-12 US disclosed
US-9815853-B2 Bridged bicyclic kallikrein inhibitors GLOBAL BLOOD THERAPEUTICS, INC. (US) 2017-11-14 US disclosed
US-8501786-B2 Hydroxymethyl pyrrolidines as beta 3 adrenergic receptor agonists MERCK SHARP & DOHME CORP. (US) 2013-08-06 US disclosed
US-8354403-B2 Pyrrolidine derived beta 3 adrenergic receptor agonists MERCK SHARP & DOHME CORP. (US) 2013-01-15 US disclosed
US-20120157432-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME, CORP. (US) 2012-06-21 US disclosed
US-20110034434-A1 PRODRUGS OF FUSED HETEROCYCLIC INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2011-02-10 US disclosed
US-20110034434-A1 PRODRUGS OF FUSED HETEROCYCLIC INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2011-02-10 US disclosed
US-20110028461-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME LLC 2011-02-03 US disclosed
US-20100120740-A1 PRODRUGS OF FUSED HETEROCYCLIC INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2010-05-13 US disclosed
US-20100120740-A1 PRODRUGS OF FUSED HETEROCYCLIC INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2010-05-13 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 (14 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-11767341-B2 Lincosamide antibiotics and uses thereof LNPEP, LCLAT1, NPEPPS NOS1 1833/4885HRH1 2753/4885KCNH2 3261/4885
US-11840529-B2 Substituted pyrimidines as LRKK2 inhibitors LRRK2, DTYMK, LMTK2 NOS1 4828/4885HRH1 979/4885KCNH2 3942/4885
US-20180194780-A1 BRIDGED BICYCLIC KALLIKREIN INHIBITORS KLKB1, KLK1, KLK2 NOS1 3596/4885HRH1 1292/4885KCNH2 559/4885
US-20190224188-A1 SUBSTITUTED HETEROCYCLES AS ANTIVIRAL AGENTS HCCS, HDGF, HAVCR2 NOS1 2533/4885HRH1 2028/4885KCNH2 4374/4885
US-11566039-B2 Lincosamide antibiotics and uses thereof NPEPPS, ASNS, LNPEP NOS1 3142/4885HRH1 3460/4885KCNH2 3234/4885
US-20110028461-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS ADRB3, ADRB1, ADRB2 NOS1 1088/4885HRH1 207/4885KCNH2 565/4885
US-20120157432-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS ADRB3, ADRB1, ADRB2 NOS1 825/4885HRH1 316/4885KCNH2 409/4885
US-11058678-B2 Substituted heterocycles as antiviral agents HCCS, HDGF, HAVCR2 NOS1 2533/4885HRH1 2028/4885KCNH2 4374/4885
US-20100120740-A1 PRODRUGS OF FUSED HETEROCYCLIC INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, AOC1 NOS1 371/4885HRH1 827/4885KCNH2 2504/4885
US-20110034434-A1 PRODRUGS OF FUSED HETEROCYCLIC INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, AOC1 NOS1 371/4885HRH1 827/4885KCNH2 2504/4885
US-20210087215-A1 LINCOSAMIDE ANTIBIOTICS AND USES THEREOF NPEPPS, ASNS, LNPEP NOS1 3142/4885HRH1 3460/4885KCNH2 3234/4885
US-20220073554-A1 LINCOSAMIDE ANTIBIOTICS AND USES THEREOF LNPEP, LCLAT1, NPEPPS NOS1 1867/4885HRH1 3034/4885KCNH2 3207/4885
US-11198693-B2 Functionalized heterocycles as antiviral agents HCCS, HAVCR2, HDGF NOS1 1718/4885HRH1 1920/4885KCNH2 4492/4885
US-20200165249-A1 FUNCTIONALIZED HETEROCYCLES AS ANTIVIRAL AGENTS HCCS, HAVCR2, HDGF NOS1 1718/4885HRH1 1920/4885KCNH2 4492/4885

“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.