SCHEMBL10326487

SCHEMBL10326487

CC(C)(C)OC(=O)C1N[C@H](c2ccccc2)[C@@H](c2ccccc2)N1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.46
CHRNA7 P36544 1/20 0.41
ABCB1 P08183 1/20 0.41
LMNA P02545 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
CYP2D6 P10635 1/20 0.38
KDM1A O60341 1/20 0.37
MAOB P27338 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 3/20 0.36
RORC P51449 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL10326768 0.81 CYP2D6 (0.54) LMNATDP1CYP2D6SMN1; SMN2ALDH1A1
SCHEMBL8899635 0.75 RECQL (0.40) RECQLCHRNA7ABCB1LMNACYP2D6
SCHEMBL5450650 0.74 CYP2D6 (0.40) RECQLCHRNA7ABCB1LMNATDP1
SCHEMBL3009817 0.74 SMN1; SMN2 (0.47) CHRNA7LMNATDP1SMN1; SMN2MEN1
SCHEMBL5531847 0.74 SMN1; SMN2 (0.47) CHRNA7LMNATDP1SMN1; SMN2MEN1
SCHEMBL7080229 0.74 SMN1; SMN2 (0.47) CHRNA7LMNATDP1SMN1; SMN2MEN1
SCHEMBL8695989 0.72 KCNH2 (0.50) RECQLABCB1KDM1AMAOB
SCHEMBL8695987 0.72 KCNH2 (0.50) RECQLABCB1KDM1AMAOB
SCHEMBL8668385 0.71 KMT2A (0.38) RECQLABCB1KDM1AMAOBKMT2A
SCHEMBL9488854 0.71 TSHR (0.61) RECQLABCB1TDP1KDM1AMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8217204-B2 Catalyst for asymmetric hydrogenation TAKASAGO INTERNATIONAL CORPORATION (JP) 2012-07-10 US disclosed
US-20100324338-A1 CATALYST FOR ASYMMETRIC HYDROGENATION TAKASAGO INTERNATIONAL CORPORATION (JP) 2010-12-23 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-20100324338-A1 CATALYST FOR ASYMMETRIC HYDROGENATION H1-0, H1-5, ADH5 RECQL 4078/4885CHRNA7 1388/4885ABCB1 4856/4885

“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.