SCHEMBL7040872

SCHEMBL7040872

COc1ccc2n[c]cnc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
MEN1 O00255 2/20 0.48
POLB P06746 2/20 0.48
RAB9A P51151 2/20 0.48
KMT2A Q03164 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 2/20 0.48
KDM4E B2RXH2 1/20 0.48
NPC1 O15118 1/20 0.48
NQO2 P16083 1/20 0.48
MMP12 P39900 1/20 0.44
EGFR P00533 2/20 0.43
PDGFRB P09619 2/20 0.42
PDGFRA P16234 2/20 0.42
CYP1A1 P04798 3/20 0.41
CYP1B1 Q16678 3/20 0.41
CYP1A2 P05177 3/20 0.41
NCF1 P14598 1/20 0.41
NFE2L2 Q16236 1/20 0.40
CCR1 P32246 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
SCHEMBL7959416 0.92 ALDH1A1 (0.48) ALDH1A1MEN1POLBRAB9AKMT2A
SCHEMBL2300942 0.76 NQO2 (0.42) ALDH1A1RAB9ASMN1; SMN2LMNAKDM4E
SCHEMBL622115 0.75 KDM4E (0.56) ALDH1A1MEN1POLBRAB9AKMT2A
SCHEMBL29550130 0.75 KDM4E (0.56) ALDH1A1MEN1POLBRAB9AKMT2A
SCHEMBL405980 0.72 F7 (0.42) ALDH1A1MEN1POLBRAB9AKMT2A
SCHEMBL435814 0.72 KDM4E (0.38) ALDH1A1MEN1RAB9AKMT2ALMNA
SCHEMBL2306818 0.72 SCN10A (0.36) ALDH1A1MEN1POLBRAB9AKMT2A
SCHEMBL3384607 0.72 ALDH1A1 (0.47) ALDH1A1MEN1POLBRAB9AKMT2A
SCHEMBL315256 0.72 NCF1 (0.51) ALDH1A1MEN1POLBRAB9AKMT2A
SCHEMBL2894578 0.70 EGFR (0.53) ALDH1A1MEN1POLBRAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230129359-A1 MUSCARINIC RECEPTOR 4 ANTAGONISTS AND METHODS OF USE NEUROCRINE BIOSCIENCES, INC. 2023-04-27 US claimed
EP-4100410-A1 MUSCARINIC RECEPTOR 4 ANTAGONISTS AND METHODS OF USE Neurocrine Biosciences, Inc. (US) 2022-12-14 EP claimed
CN-115362156-A Muscarinic receptor 4 antagonists and methods of use 纽罗克里生物科学有限公司 2022-11-18 CN claimed
WO-2021158698-A1 MUSCARINIC RECEPTOR 4 ANTAGONISTS AND METHODS OF USE NEUROCRINE BIOSCIENCES, INC. (US) 2021-08-12 WO claimed
WO-2013050938-A1 3,7-DIAZABICYCLO[3.3.1]NONANE AND 9-OXA-3,7-DIAZABICYCLO[3.3.1]NONANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2013-04-11 WO claimed
US-20230129359-A1 MUSCARINIC RECEPTOR 4 ANTAGONISTS AND METHODS OF USE NEUROCRINE BIOSCIENCES, INC. 2023-04-27 US disclosed
EP-4100410-A1 MUSCARINIC RECEPTOR 4 ANTAGONISTS AND METHODS OF USE Neurocrine Biosciences, Inc. (US) 2022-12-14 EP disclosed
CN-115362156-A Muscarinic receptor 4 antagonists and methods of use 纽罗克里生物科学有限公司 2022-11-18 CN disclosed
WO-2021158698-A1 MUSCARINIC RECEPTOR 4 ANTAGONISTS AND METHODS OF USE NEUROCRINE BIOSCIENCES, INC. (US) 2021-08-12 WO disclosed
WO-2013050938-A1 3,7-DIAZABICYCLO[3.3.1]NONANE AND 9-OXA-3,7-DIAZABICYCLO[3.3.1]NONANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2013-04-11 WO disclosed
US-20030212116-A1 Heterocyclic imino compounds and fungicides and insecticides for agricultural and horitcultural use NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2003-11-13 US disclosed
EP-1243580-A1 HETEROCYCLIC IMINO COMPOUNDS AND FUNGICIDES AND INSECTICIDES FOR AGRICULTURAL AND HORTICULTURAL USE Nissan Chemical Industries, Ltd. (JP) 2002-09-25 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 (2 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-20030212116-A1 Heterocyclic imino compounds and fungicides and insecticides for agricultural and horitcultural use DDT, CBR3, CYP1B1 ALDH1A1 1119/4885MEN1 762/4885POLB 3693/4885
US-20230129359-A1 MUSCARINIC RECEPTOR 4 ANTAGONISTS AND METHODS OF USE CHRM4, CHRM2, CHRM5 ALDH1A1 1378/4885MEN1 1049/4885POLB 4490/4885

“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.