SCHEMBL7015511

SCHEMBL7015511

C[C@H]1CN(CC2CCOCC2)[C@@H](C)CN1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 4/20 0.39
▸ GBA1 P04062 2/20 0.36
▸ CHRM2 P08172 1/20 0.35
▸ CHRM1 P11229 1/20 0.35
▸ CACNA1G O43497 1/20 0.32
▸ CACNA1H O95180 1/20 0.32
▸ HSD11B1 P28845 1/20 0.32
▸ CNR1 P21554 1/20 0.30
▸ CNR2 P34972 1/20 0.30

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
SCHEMBL29483936 1.00 SIGMAR1 (0.39) SIGMAR1GBA1CHRM2CHRM1CACNA1G
SCHEMBL2671674 1.00 SIGMAR1 (0.39) SIGMAR1GBA1CHRM2CHRM1CACNA1G
SCHEMBL14104189 1.00 SIGMAR1 (0.39) SIGMAR1GBA1CHRM2CHRM1CACNA1G
SCHEMBL24272975 0.80 GBA1 (0.32) GBA1
SCHEMBL8237680 0.72 GBA1 (0.46) SIGMAR1GBA1CHRM2CACNA1GCACNA1H
SCHEMBL30616172 0.72 GBA1 (0.46) SIGMAR1GBA1CHRM2CACNA1GCACNA1H
SCHEMBL13284755 0.71 GBA1 (0.43) GBA1CACNA1GCACNA1HHSD11B1CNR1
SCHEMBL16480434 0.71 GBA1 (0.43) GBA1CACNA1GCACNA1HHSD11B1CNR1
SCHEMBL596929 0.70 PIM1 (0.31) —
SCHEMBL6376833 0.70 SIGMAR1 (0.47) SIGMAR1CHRM2CHRM1

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
CN-116940571-A Benzisoxazole derivative and use thereof 诺华股份有限公司 2023-10-24 — — CN disclosed
US-9518060-B2 Substituted pyrrolo[3,4-c]pyrazoles as PKC kinase inhibitors PFIZER INC. (US) 2016-12-13 — — US disclosed
US-9518060-B2 Substituted pyrrolo[3,4-c]pyrazoles as PKC kinase inhibitors PFIZER INC. (US) 2016-12-13 — — US disclosed
EP-2195321-B1 3-AMIDO-PYRROLO[3,4-C]PYRAZOLE-5(1H, 4H,6H) CARBALDEHYDE DERIVATIVES AS INHIBITORS OF PROTEIN KINASE C PFIZER (US) 2016-10-19 — — EP disclosed
US-20150099743-A1 NOVEL N-PYRIMIDIN-4-YL-3-AMINO-PYRROLO[3,4-C]PYRAZOLE DERIVATIVES AS PKC KINASE INHIBITORS PFIZER INC. 2015-04-09 — — US disclosed
US-20150099743-A1 NOVEL N-PYRIMIDIN-4-YL-3-AMINO-PYRROLO[3,4-C]PYRAZOLE DERIVATIVES AS PKC KINASE INHIBITORS PFIZER INC. 2015-04-09 — — US disclosed
US-8183255-B2 N-pyrimidin-4-yl-3-amino-pyrrolo[3,4-c]pyrazole derivatives as PKC kinase inhibitors PFIZER, INC. (US) 2012-05-22 — — US disclosed
US-8183255-B2 N-pyrimidin-4-yl-3-amino-pyrrolo[3,4-c]pyrazole derivatives as PKC kinase inhibitors PFIZER, INC. (US) 2012-05-22 — — US disclosed
US-8114871-B2 3-amido-pyrrolo[3,4-C]pyrazole-5(1H,4H,6H) carbaldehyde derivatives PFIZER INC. (US) 2012-02-14 — — US disclosed
US-8114871-B2 3-amido-pyrrolo[3,4-C]pyrazole-5(1H,4H,6H) carbaldehyde derivatives PFIZER INC. (US) 2012-02-14 — — US disclosed
US-20100130501-A1 NOVEL 3-AMINO-PYRROLO[3,4-C]PYRAZOLE-5(1H, 4H, 6H) CARBALDEHYDE DERIVATIVES PFIZER INC. 2010-05-27 — — US disclosed
US-20100130501-A1 NOVEL 3-AMINO-PYRROLO[3,4-C]PYRAZOLE-5(1H, 4H, 6H) CARBALDEHYDE DERIVATIVES PFIZER INC. 2010-05-27 — — 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 (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-20100130501-A1 NOVEL 3-AMINO-PYRROLO[3,4-C]PYRAZOLE-5(1H, 4H, 6H) CARBALDEHYDE DERIVATIVES DPP3, IAPP, GPR119 SIGMAR1 3234/4885GBA1 2103/4885CHRM2 757/4885
US-20150099743-A1 NOVEL N-PYRIMIDIN-4-YL-3-AMINO-PYRROLO[3,4-C]PYRAZOLE DERIVATIVES AS PKC KINASE INHIBITORS PRKCB, PRKCA, PRKCQ SIGMAR1 3243/4885GBA1 3986/4885CHRM2 1478/4885

“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.

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