SCHEMBL8908751

SCHEMBL8908751

CC(NCc1ccccc1)c1ccc2ccccc2c1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CASR P41180 2/20 0.61
SMN1; SMN2 Q16637 1/20 0.53
CYP2D6 P10635 2/20 0.51
CYP3A4 P08684 1/20 0.51
SLC6A2 P23975 1/20 0.51
SLC6A4 P31645 1/20 0.51
SLC6A3 Q01959 1/20 0.51
KCNH2 Q12809 1/20 0.51
MEN1 O00255 1/20 0.50
CYP1A2 P05177 1/20 0.50
TSHR P16473 1/20 0.50
KMT2A Q03164 1/20 0.50
HIF1A Q16665 1/20 0.50
POLB P06746 1/20 0.49
UGT2B7 P16662 1/20 0.49
MMP9 P14780 1/20 0.48
SIGMAR1 Q99720 3/20 0.47
GABRB1 P18505 1/20 0.45
GABRB2 P47870 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
SCHEMBL13804038 1.00 CASR (0.61) CASRSMN1; SMN2CYP2D6CYP3A4SLC6A2
SCHEMBL5268653 0.88 BCHE (0.57) CASRMEN1KMT2APOLB
SCHEMBL11881252 0.84 SMN1; SMN2 (0.70) CASRSMN1; SMN2CYP2D6CYP3A4SLC6A2
SCHEMBL5269238 0.84 MEN1 (0.60) CASRMEN1KMT2A
SCHEMBL3678776 0.83 SMN1; SMN2 (0.61) CASRSMN1; SMN2MEN1CYP1A2KMT2A
SCHEMBL3678774 0.83 SMN1; SMN2 (0.61) CASRSMN1; SMN2MEN1CYP1A2KMT2A
SCHEMBL11877401 0.82 CASR (0.73) CASRSMN1; SMN2CYP2D6CYP3A4SLC6A2
SCHEMBL9522067 0.81 SIGMAR1 (0.64) SMN1; SMN2CYP2D6CYP3A4SLC6A2SLC6A4
SCHEMBL23330352 0.81 CYP2D6 (0.54) CYP2D6CYP3A4SLC6A2SLC6A4SLC6A3
SCHEMBL79765 0.80 SMN1; SMN2 (0.76) CASRSMN1; SMN2CYP2D6CYP3A4SLC6A2

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-11161863-B2 Chiral catalyst and method for asymmetric reduction of an imine DALHOUSIE UNIVERSITY (CA) 2021-11-02 US disclosed
US-20200255463-A1 CHIRAL CATALYST AND METHOD FOR ASYMMETRIC REDUCTION OF AN IMINE DALHOUSIE UNIVERSITY (CA) 2020-08-13 US disclosed
US-5686616-A Process for preparing an optically active amine TAKASAGO INTERNATIONAL CORPORATION (JP) 1997-11-11 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 (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-20200255463-A1 CHIRAL CATALYST AND METHOD FOR ASYMMETRIC REDUCTION OF AN IMINE C1R, C5, C1S CASR 4756/4885SMN1; SMN2 3219/4885CYP2D6 53/4885
US-11161863-B2 Chiral catalyst and method for asymmetric reduction of an imine C1R, C5, C1S CASR 4756/4885SMN1; SMN2 3219/4885CYP2D6 53/4885

“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.