SCHEMBL6023457

SCHEMBL6023457

C=C[C@]1(O)C[C@H](c2ccccc2)C1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 1/20 0.43
▸ SLC18A3 Q16572 3/20 0.36
▸ SIGMAR1 Q99720 1/20 0.36
▸ KDM1A O60341 8/20 0.35
▸ MAOA P21397 7/20 0.35
▸ MAOB P27338 7/20 0.35
▸ GAA P10253 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ AKR1C3 P42330 1/20 0.35
▸ AKR1C1 Q04828 1/20 0.35
▸ SCD5 Q86SK9 1/20 0.34

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
SCHEMBL6023453 1.00 TRPA1 (0.43) TRPA1SLC18A3SIGMAR1KDM1AMAOA
SCHEMBL6023291 0.81 KDM1A (0.34) KDM1AMAOB
SCHEMBL6023573 0.81 MAP1LC3B (0.35) KDM1AMAOAMAOB
SCHEMBL6023577 0.81 MAP1LC3B (0.35) KDM1AMAOAMAOB
SCHEMBL16892609 0.81 TRPA1 (0.45) TRPA1SLC18A3SIGMAR1AKR1C3AKR1C1
SCHEMBL6023447 0.77 KMT2A (0.41) KDM1AMAOAMAOBGAAMAPT
SCHEMBL6023452 0.77 KMT2A (0.41) KDM1AMAOAMAOBGAAMAPT
SCHEMBL9067468 0.71 TRPA1 (0.46) TRPA1SLC18A3SIGMAR1KDM1AMAOA
SCHEMBL28653752 0.71 OPRM1 (0.46) TRPA1KDM1AMAOAMAOB
SCHEMBL25053497 0.71 TSHR (0.38) TRPA1KDM1AMAOAMAOBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1867548-A Preparation of 3-azabicyclo [3.1.0] hexane derivatives PFIZER (US) 2006-11-22 — — CN disclosed
US-7129263-B2 Preparation of 3-azabicyclo [3.1.0] hexane derivatives PFIZER INC. 2006-10-31 — — US disclosed
US-20050113437-A1 Preparation of 3-azabicyclo [3.1.0] hexane derivatives PFIZER INC. 2005-05-26 — — 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 (1 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-20050113437-A1 Preparation of 3-azabicyclo [3.1.0] hexane derivatives ADH1C, ADH1A, ADH5 TRPA1 3174/4885SLC18A3 1479/4885SIGMAR1 627/4885

“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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