SCHEMBL1993494

SCHEMBL1993494

C1=C\CCC2C(CC/1)N2Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.47
CHRM4 P08173 1/20 0.47
CHRM5 P08912 1/20 0.47
SIGMAR1 Q99720 1/20 0.43
ACHE P22303 2/20 0.43
BCHE P06276 1/20 0.42
BACE1 P56817 1/20 0.42
CCR3 P51677 1/20 0.42
HRH3 Q9Y5N1 1/20 0.41
ALDH1A1 P00352 2/20 0.41
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
FUCA1 P04066 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL4048126 0.85 ALDH1A1 (0.53) CHRM2CHRM4CHRM5SIGMAR1ACHE
SCHEMBL13772148 0.85 ALDH1A1 (0.53) CHRM2CHRM4CHRM5SIGMAR1ACHE
SCHEMBL10500589 0.85 CHRM2 (0.52) CHRM2CHRM4CHRM5SIGMAR1ACHE
SCHEMBL11913658 0.83 ALDH1A1 (0.52) CHRM2CHRM4CHRM5SIGMAR1ACHE
SCHEMBL12830800 0.79 CHRM2 (0.59) CHRM2CHRM4CHRM5SIGMAR1ACHE
SCHEMBL26695363 0.75 FUCA1 (0.50) CHRM2CHRM4CHRM5SIGMAR1ACHE
SCHEMBL20483452 0.74 CHRM2 (0.64) CHRM2CHRM4CHRM5SIGMAR1HRH3
SCHEMBL12564459 0.73 CHRM2 (0.44) CHRM2CHRM4CHRM5SIGMAR1ACHE
SCHEMBL12564458 0.73 CHRM2 (0.44) CHRM2CHRM4CHRM5SIGMAR1ACHE
SCHEMBL13813857 0.73 CHRM2 (0.49) CHRM2CHRM4CHRM5SIGMAR1ACHE

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230365563-A1 QUINAZOLINE COMPOUND AND APPLICATION THEREOF SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2023-11-16 US disclosed
US-20230365563-A1 QUINAZOLINE COMPOUND AND APPLICATION THEREOF SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2023-11-16 US disclosed
EP-4223761-A1 QUINAZOLINE COMPOUND AND APPLICATION THEREOF Shanghai Pharmaceuticals Holding Co., Ltd. (CN) 2023-08-09 EP disclosed
EP-3267996-B1 PYRAZOLOPYRIMIDINE INHIBITORS OF IRAK4 ACTIVITY MERCK SHARP & DOHME (US) 2020-11-11 EP disclosed
US-10329294-B2 Pyrazolopyrimidine inhibitors of IRAK4 activity MERCK SHARP & DOHME CORP. (US) 2019-06-25 US disclosed
US-20180051028-A1 PYRAZOLOPYRIMIDINE INHIBITORS OF IRAK4 ACTIVITY MERCK SHARP & DOHME CORP. (US) 2018-02-22 US disclosed
EP-3267996-A1 PYRAZOLOPYRIMIDINE INHIBITORS OF IRAK4 ACTIVITY Merck Sharp & Dohme Corp. (US) 2018-01-17 EP disclosed
WO-2016144846-A1 PYRAZOLOPYRIMIDINE INHIBITORS OF IRAK4 ACTIVITY MERCK SHARP & DOHME CORP. (US) 2016-09-15 WO disclosed
US-8609659-B2 Substituted 3,8-diazabicyclo[3.2.1]octane compounds NEUROSCIENZE PHARMANESS S.C.A.R.L. (IT) 2013-12-17 US disclosed
EP-2338889-B1 Diazacyclic compounds having affinity for opioid receptors NEUROSCIENZE PHARMANESS S C A R L (IT) 2012-08-29 EP disclosed
EP-2338889-A1 Diazacyclic compounds having affinity for opioid receptors Neuroscienze Pharmaness S.C. A R.L. (IT) 2011-06-29 EP disclosed
US-20110152238-A1 PHARMACEUTICAL COMPOUNDS NEUROSCIENZE PHARMANESS S.C. A.R.L. (IT) 2011-06-23 US disclosed
US-20110152238-A1 PHARMACEUTICAL COMPOUNDS NEUROSCIENZE PHARMANESS S.C. A.R.L. (IT) 2011-06-23 US disclosed
US-20110152238-A1 PHARMACEUTICAL COMPOUNDS NEUROSCIENZE PHARMANESS S.C. A.R.L. (IT) 2011-06-23 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 (4 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-10329294-B2 Pyrazolopyrimidine inhibitors of IRAK4 activity IRAK4, IRAK2, IRAK1 CHRM2 4808/4885CHRM4 4316/4885CHRM5 4756/4885
US-20110152238-A1 PHARMACEUTICAL COMPOUNDS OPRD1, OPRK1, OPRM1 CHRM2 40/4885CHRM4 36/4885CHRM5 85/4885
US-20230365563-A1 QUINAZOLINE COMPOUND AND APPLICATION THEREOF KRAS, NRAS, BRAF CHRM2 4561/4885CHRM4 4713/4885CHRM5 4714/4885
US-20180051028-A1 PYRAZOLOPYRIMIDINE INHIBITORS OF IRAK4 ACTIVITY IRAK4, IRAK2, IRAK1 CHRM2 4808/4885CHRM4 4316/4885CHRM5 4756/4885

“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.