SCHEMBL1189507

SCHEMBL1189507

CC1(N2CCOCC2)CN(C(c2ccccc2)c2ccccc2)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.48
▸ GPR55 Q9Y2T6 1/20 0.48
▸ CYP2D6 P10635 6/20 0.45
▸ OPRM1 P35372 4/20 0.45
▸ CHRM2 P08172 1/20 0.45
▸ CHRM4 P08173 1/20 0.45
▸ CHRM5 P08912 1/20 0.45
▸ ADRA2A P08913 1/20 0.45
▸ ADORA3 P0DMS8 1/20 0.45
▸ CHRM1 P11229 1/20 0.45
▸ CHRM3 P20309 1/20 0.45
▸ DRD1 P21728 1/20 0.45
▸ ADRA1D P25100 1/20 0.45
▸ HTR2A P28223 1/20 0.45
▸ HTR2C P28335 1/20 0.45
▸ HRH1 P35367 1/20 0.45
▸ DRD3 P35462 1/20 0.45
▸ HTR2B P41595 1/20 0.45
▸ SLC6A3 Q01959 1/20 0.45

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
SCHEMBL1189319 0.85 NPSR1 (0.51) NPSR1GPR55CYP2D6OPRM1CHRM2
SCHEMBL26094127 0.81 MEN1 (0.62) ALDH1A1NPSR1GPR55CYP2D6OPRM1
SCHEMBL3887165 0.78 ALDH1A1 (0.46) ALDH1A1NPSR1GPR55CYP2D6OPRM1
SCHEMBL5532770 0.78 ALDH1A1 (0.46) ALDH1A1NPSR1GPR55CYP2D6OPRM1
SCHEMBL15409040 0.78 OPRM1 (0.56) ALDH1A1CYP2D6OPRM1CHRM2CHRM4
SCHEMBL5502867 0.77 OPRM1 (0.45) ALDH1A1NPSR1GPR55CYP2D6OPRM1
SCHEMBL2793637 0.77 ALDH1A1 (0.67) ALDH1A1CYP2D6OPRM1CHRM2CHRM4
SCHEMBL10047375 0.74 NPSR1 (0.61) NPSR1GPR55CYP2D6OPRM1CHRM2
SCHEMBL3892551 0.72 ALDH1A1 (0.49) ALDH1A1CYP2D6CYP3A4CYP2C9KDM4E
SCHEMBL31282961 0.72 CYP3A4 (0.53) ALDH1A1CYP2D6CYP3A4ALOX15CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025111582-A1 AZA-TETRACYCLIC OXAZEPINE INHIBITORS OF KRAS-G12D GENENTECH, INC. (US) 2025-05-30 — — WO disclosed
EP-4547656-A1 INDAZOLE COMPOUNDS Tyra Biosciences, Inc. (US) 2025-05-07 — — EP disclosed
CN-119731165-A Indazole compounds 泰拉生物科学公司 2025-03-28 — — CN disclosed
WO-2024006897-A1 INDAZOLE COMPOUNDS TYRA BIOSCIENCES, INC. (US) 2024-01-04 — — WO disclosed
WO-2021064077-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES AS IRAK4 INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2021-04-08 — — WO disclosed
EP-3800188-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES AS IRAK4 INHIBITORS Bayer AG (DE) 2021-04-07 — — EP disclosed
EP-3800188-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES AS IRAK4 INHIBITORS Bayer AG (DE) 2021-04-07 — — EP disclosed
EP-2217226-B1 PEPTIDE DEFORMYLASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2015-07-22 — — EP disclosed
US-20130045962-A1 PEPTIDE DEFORMYLASE INHIBITORS GLAXOSMITHKLINE LLC 2013-02-21 — — US disclosed
CN-101917981-B Peptide deformylase inhibitors SMITHKLINE BEECHAM CORP 2012-11-14 — — CN disclosed
US-7893056-B2 Peptide deformylase inhibitors GLAXOSMITHKLINE LLC (US) 2011-02-22 — — US disclosed
CN-101917981-A Peptide deformylase inhibitors SMITHKLINE BEECHAM CORP 2010-12-15 — — CN disclosed
EP-2217226-A1 PEPTIDE DEFORMYLASE INHIBITORS GlaxoSmithKline LLC (US) 2010-08-18 — — EP disclosed
US-20090306066-A1 PEPTIDE DEFORMYLASE INHIBITORS GLAXOSMITHKLINE LLC 2009-12-10 — — US disclosed
WO-2009061879-A1 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-05-14 — — WO 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 ALDH1A1 985/4885NPSR1 1670/4885GPR55 3338/4885
US-20090306066-A1 PEPTIDE DEFORMYLASE INHIBITORS PDF, DHPS, PADI3 ALDH1A1 1567/4885NPSR1 2601/4885GPR55 3424/4885

“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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