SCHEMBL12871846

SCHEMBL12871846

C[C@@H](N[C@H](C)c1ccc2ccccc2c1)c1ccc2ccccc2c1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ UGT2B7 P16662 1/20 0.61
▸ MMP9 P14780 1/20 0.57
▸ CYP2D6 P10635 5/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ HIF1A Q16665 1/20 0.51
▸ ATM Q13315 1/20 0.47
▸ SLC6A2 P23975 6/20 0.45
▸ SLC6A4 P31645 6/20 0.45
▸ SLC6A3 Q01959 6/20 0.45
▸ KCNH2 Q12809 5/20 0.45
▸ CYP3A4 P08684 4/20 0.45
▸ PDE2A O00408 1/20 0.44

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
SCHEMBL15131117 0.94 UGT2B7 (0.55) UGT2B7MMP9CYP2D6MEN1KMT2A
SCHEMBL6221889 0.94 UGT2B7 (0.55) UGT2B7MMP9CYP2D6MEN1KMT2A
SCHEMBL23742756 0.92 UGT2B7 (0.57) UGT2B7MMP9CYP2D6MEN1KMT2A
SCHEMBL15979349 0.92 UGT2B7 (0.57) UGT2B7MMP9CYP2D6MEN1KMT2A
SCHEMBL20032327 0.85 UGT2B7 (0.50) UGT2B7MMP9CYP2D6MEN1KMT2A
SCHEMBL19286311 0.85 UGT2B7 (0.59) UGT2B7MMP9CYP2D6MEN1KMT2A
SCHEMBL1320202 0.85 UGT2B7 (0.59) UGT2B7MMP9CYP2D6MEN1KMT2A
SCHEMBL13804034 0.85 UGT2B7 (0.59) UGT2B7MMP9CYP2D6MEN1KMT2A
SCHEMBL28276305 0.85 UGT2B7 (0.59) UGT2B7MMP9CYP2D6MEN1KMT2A
SCHEMBL178531 0.85 UGT2B7 (0.59) UGT2B7MMP9CYP2D6MEN1KMT2A

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
US-7884223-B2 N-isopropylphenethylamine; N-(2,6-dimethoxybenzyl)1-phenethylamine; (R,R) N-(1-naphth-1-ylethyl)-1-phenethylamine; high activity; easily accessible DSM IP ASSETS B.V. (NL) 2011-02-08 — — US disclosed
EP-1824868-B1 CHIRAL COMPOUND SUITABLE AS A CATALYST FOR ASYMMETRIC TRANSFER HYDROGENATION DSM IP ASSETS BV (NL) 2010-06-02 — — EP disclosed
US-20080269529-A1 Chiral Compound Suitable as a Catalyst for Asymmetric Transfer Hydrogenation PATHEON HOLDINGS I B.V. (NL) 2008-10-30 — — 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-20080269529-A1 Chiral Compound Suitable as a Catalyst for Asymmetric Transfer Hydrogenation SLC30A6, SLC39A14, SLC30A5 UGT2B7 4517/4885MMP9 4105/4885CYP2D6 2453/4885

“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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