SCHEMBL791729

SCHEMBL791729

COCCOC1CCN(C)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.41
NCF1 P14598 1/20 0.37
OPRM1 P35372 5/20 0.36
KMT2A Q03164 1/20 0.35
HRH3 Q9Y5N1 2/20 0.34
CHRM2 P08172 1/20 0.34
HTR1A P08908 1/20 0.34
ADRA2A P08913 1/20 0.34
CYP2D6 P10635 1/20 0.34
CHRM1 P11229 1/20 0.34
DRD1 P21728 1/20 0.34
SLC6A2 P23975 1/20 0.34
ADRA1A P35348 1/20 0.34
DRD3 P35462 1/20 0.34
SLC6A3 Q01959 1/20 0.34
KCNH2 Q12809 1/20 0.34
MAPK1 P28482 1/20 0.33
GBA1 P04062 1/20 0.33
RAB9A P51151 1/20 0.33
LTA4H P09960 1/20 0.33

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
SCHEMBL9030310 0.88 NPC1 (0.38) NPC1NCF1OPRM1HRH3CHRM2
SCHEMBL13162853 0.88 KMT2A (0.36) NPC1NCF1KMT2ACHRM2CHRM1
SCHEMBL18912346 0.88 KMT2A (0.36) NPC1NCF1KMT2ACHRM2CHRM1
SCHEMBL13561507 0.88 KMT2A (0.36) NPC1NCF1KMT2ACHRM2CHRM1
SCHEMBL27396399 0.88 NPC1 (0.38) NPC1NCF1OPRM1HRH3CHRM2
SCHEMBL26381329 0.84 NPC1 (0.36) NPC1NCF1OPRM1HRH3CHRM2
SCHEMBL21468985 0.83 LIPC (0.41) NPC1NCF1OPRM1KMT2ACHRM2
SCHEMBL12200376 0.81 NPC1 (0.34) NPC1OPRM1
SCHEMBL13652632 0.81
SCHEMBL17625276 0.81 NPC1 (0.35) NPC1OPRM1KMT2ACHRM2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11655248-B2 Pyridone-pyrimidine derivative acting as KRAS G12C mutein inhibitor MEDSHINE DISCOVERY INC. (CN) 2023-05-23 US disclosed
US-11453667-B2 Pyridone-pyrimidine derivative acting as KRASG12C mutein inhibitor MEDSHINE DISCOVERY INC. (CN) 2022-09-27 US disclosed
US-20210371411-A1 PYRIDONE-PYRIMIDINE DERIVATIVE ACTING AS KRASG12C MUTEIN INHIBITOR MEDSHINE DISCOVERY INC. (CN) 2021-12-02 US disclosed
WO-2021129653-A1 PROTEIN DEGRADATION AGENT COMPOUND PREPARATION METHOD AND APPLICATION 上海济煜医药科技有限公司 2021-07-01 WO disclosed
US-20210147418-A1 Pyridone-Pyrimidine Derivative Acting As KRASG12C Mutein Inhibitor MEDSHINE DISCOVERY INC (CN) 2021-05-20 US disclosed
EP-3390339-A1 PRODUCTION OF TERT-BUTYL ESTERS OF ETHYLENICALLY UNSATURATED CARBOXYLIC ACIDS BASF SE (DE) 2018-10-24 EP disclosed
EP-3309148-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS AS FACTOR XIA INHIBITORS Bristol-Myers Squibb Company (US) 2018-04-18 EP disclosed
US-9944625-B2 Substituted tetrahydroisoquinoline compounds as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-04-17 US disclosed
US-9662339-B2 Benzodioxane inhibitors of leukotriene production for combination therapy BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-05-30 US disclosed
US-9662339-B2 Benzodioxane inhibitors of leukotriene production for combination therapy BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-05-30 US disclosed
US-20090069298-A1 Pyrazolo[1,5-A]Pyrimidine Compounds TANABE SEIYAKU CO., LTD. (JP) 2009-03-12 US disclosed
US-20080200433-A1 Molecular Chaperone Function Regulator MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-08-21 US disclosed
US-20080200433-A1 Molecular Chaperone Function Regulator MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-08-21 US disclosed
US-20070265260-A1 Quinazoline derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-11-15 US disclosed
US-20070265260-A1 Quinazoline derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-11-15 US disclosed
US-7294629-B2 Quinazoline derivatives MITSUBISHI PHARMA CORPORATION (JP) 2007-11-13 US disclosed
US-7294629-B2 Quinazoline derivatives MITSUBISHI PHARMA CORPORATION (JP) 2007-11-13 US disclosed
WO-2007046548-A1 PYRAZOLO[1,5-A]PYRIMIDINE COMPOUNDS AS CANNABINOID RECEPTOR ANTAGONISTS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-04-26 WO disclosed
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 US disclosed
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 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 (8 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-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor POLI, TERT, ZC3HAV1 NPC1 1131/4885NCF1 544/4885OPRM1 3434/4885
US-11453667-B2 Pyridone-pyrimidine derivative acting as KRASG12C mutein inhibitor KRAS, NRAS, MSH2 NPC1 4576/4885NCF1 2427/4885OPRM1 4109/4885
US-20090069298-A1 Pyrazolo[1,5-A]Pyrimidine Compounds RECQL, QTRT1, DPYD NPC1 3153/4885NCF1 2081/4885OPRM1 2248/4885
US-11655248-B2 Pyridone-pyrimidine derivative acting as KRAS G12C mutein inhibitor KRAS, NRAS, MSH2 NPC1 4607/4885NCF1 1970/4885OPRM1 4140/4885
US-20210147418-A1 Pyridone-Pyrimidine Derivative Acting As KRASG12C Mutein Inhibitor KRAS, NRAS, MSH2 NPC1 4576/4885NCF1 2427/4885OPRM1 4109/4885
US-20210371411-A1 PYRIDONE-PYRIMIDINE DERIVATIVE ACTING AS KRASG12C MUTEIN INHIBITOR KRAS, NRAS, MSH2 NPC1 4576/4885NCF1 2427/4885OPRM1 4109/4885
US-20070265260-A1 Quinazoline derivatives TYK2, ROR1, JAK1 NPC1 2687/4885NCF1 991/4885OPRM1 4284/4885
US-20080200433-A1 Molecular Chaperone Function Regulator HSPBP1, HSF1, HSPH1 NPC1 2793/4885NCF1 1071/4885OPRM1 3439/4885

“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.