SCHEMBL1190527

SCHEMBL1190527

C[C@@H]1CN(Cc2ccccc2)[C@H](C)CN1

nearest known ligand 0.70

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 4/20 0.68
▸ MAPT P10636 1/20 0.54
▸ PDK1 Q15118 1/20 0.43
▸ PDK2 Q15119 1/20 0.43
▸ PDK3 Q15120 1/20 0.43
▸ PDK4 Q16654 1/20 0.43

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
SCHEMBL15679632 1.00 SIGMAR1 (0.68) SIGMAR1MAPTPDK1PDK2PDK3
SCHEMBL16549824 1.00 SIGMAR1 (0.68) SIGMAR1MAPTPDK1PDK2PDK3
SCHEMBL103705 1.00 SIGMAR1 (0.68) SIGMAR1MAPTPDK1PDK2PDK3
SCHEMBL103704 1.00 SIGMAR1 (0.68) SIGMAR1MAPTPDK1PDK2PDK3
SCHEMBL103706 1.00 SIGMAR1 (0.68) SIGMAR1MAPTPDK1PDK2PDK3
SCHEMBL1190919 1.00 SIGMAR1 (0.68) SIGMAR1MAPTPDK1PDK2PDK3
Hydrochloric Acid SCHEMBL7971721 0.98 SIGMAR1 (0.67) SIGMAR1MAPTPDK1PDK2PDK3
Hydrochloric Acid SCHEMBL7971725 0.98 SIGMAR1 (0.67) SIGMAR1MAPTPDK1PDK2PDK3
Hydrochloric Acid SCHEMBL4187485 0.98 SIGMAR1 (0.67) SIGMAR1MAPTPDK1PDK2PDK3
Hydrochloric Acid SCHEMBL7971723 0.98 SIGMAR1 (0.67) SIGMAR1MAPTPDK1PDK2PDK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2217226-B1 PEPTIDE DEFORMYLASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2015-07-22 — — EP disclosed
EP-2118112-B1 3-AMINO-PYRROLO[3,4-C] PYRAZOLE- 5 (1H, 4H, 6H) CARBALDEHYDE DERIVATIVES AS PKC INHIBITORS PFIZER (US) 2015-07-08 — — EP disclosed
US-20130045962-A1 PEPTIDE DEFORMYLASE INHIBITORS GLAXOSMITHKLINE LLC 2013-02-21 — — US disclosed
US-7893056-B2 Peptide deformylase inhibitors GLAXOSMITHKLINE LLC (US) 2011-02-22 — — US disclosed
US-20090306066-A1 PEPTIDE DEFORMYLASE INHIBITORS GLAXOSMITHKLINE LLC 2009-12-10 — — US disclosed
US-6967201-B1 for increasing activation of the 5-HT2C receptor in mammals; treatment of depression, obesity, bulimia, premenstrual syndrome, alcoholism, tobacco abuse, panic disorder ELI LILLY AND COMPANY (US) 2005-11-22 — — US disclosed
EP-1204654-B1 BENZOFURYLPIPERAZINES: 5-HT2C SEROTONIN RECEPTOR AGONISTS LILLY CO ELI (US) 2003-07-23 — — 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-20130045962-A1 PEPTIDE DEFORMYLASE INHIBITORS PDF, DPEP1, DHPS SIGMAR1 2945/4885MAPT 4508/4885PDK1 546/4885
US-20090306066-A1 PEPTIDE DEFORMYLASE INHIBITORS PDF, DHPS, PADI3 SIGMAR1 1138/4885MAPT 4456/4885PDK1 364/4885

“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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