SCHEMBL10076448

SCHEMBL10076448

CN[C@H](C)Cc1ccc(C)cc1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.65
SLC18A2 Q05940 1/20 0.65
SIGMAR1 Q99720 1/20 0.65
SLC6A4 P31645 3/20 0.62
ACACB O00763 1/20 0.49
CYP2D6 P10635 1/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A3 Q01959 1/20 0.49
HTR1B P28222 3/20 0.47

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
SCHEMBL178625 1.00 TAAR1 (0.65) TAAR1SLC18A2SIGMAR1SLC6A4ACACB
Hydrochloric Acid SCHEMBL23524368 0.98 TAAR1 (0.63) TAAR1SLC18A2SIGMAR1SLC6A4ACACB
Methamphetamine SCHEMBL28184718 0.90 SIGMAR1 (0.84) TAAR1SLC18A2SIGMAR1SLC6A4CYP2D6
SCHEMBL765297 0.82 TAAR1 (0.65) TAAR1SLC18A2SIGMAR1SLC6A4ACACB
Pholedrine SCHEMBL119262 0.80 TAAR1 (0.63) TAAR1SLC18A2SIGMAR1SLC6A4CYP2D6
SCHEMBL7316113 0.80 TAAR1 (0.63) TAAR1SLC18A2SIGMAR1SLC6A4ACACB
SCHEMBL11265489 0.80 CYP2D6 (0.68) TAAR1SLC18A2SIGMAR1SLC6A4CYP2D6
SCHEMBL18211455 0.80 CYP1A2 (0.68) TAAR1SLC18A2SIGMAR1SLC6A4ACACB
SCHEMBL21286088 0.80 TAAR1 (0.63) TAAR1SLC18A2SIGMAR1SLC6A4ACACB
SCHEMBL178533 0.80 TAAR1 (0.63) TAAR1SLC18A2SIGMAR1SLC6A4ACACB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3039009-B1 MAO-B SELECTIVE INHIBITOR COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF AND USES THEREOF UNIV BRITISH COLUMBIA (CA) 2019-05-01 EP disclosed
US-10196345-B2 MAO-B selective inhibitor compounds, pharmaceutical compositions thereof and uses thereof THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2019-02-05 US disclosed
US-20140155355-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY, INC. 2014-06-05 US disclosed
US-20140135270-A1 MACROCYCLIC COMPOUNDS FOR INHIBITION OF INHIBITORS OF APOPTOSIS BRISTOL-MYERS SQUIBB COMPANY 2014-05-15 US disclosed
US-20120015909-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2012-01-19 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 (4 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-10196345-B2 MAO-B selective inhibitor compounds, pharmaceutical compositions thereof and uses thereof MAOB, MAOA, COMT TAAR1 1406/4885SLC18A2 907/4885SIGMAR1 2039/4885
US-20120015909-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY MAOB, MAOA, GPR119 TAAR1 195/4885SLC18A2 676/4885SIGMAR1 1095/4885
US-20140155355-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY MAOB, MAOA, GPR119 TAAR1 195/4885SLC18A2 676/4885SIGMAR1 1095/4885
US-20140135270-A1 MACROCYCLIC COMPOUNDS FOR INHIBITION OF INHIBITORS OF APOPTOSIS BAX, API5, BCL2 TAAR1 4852/4885SLC18A2 4765/4885SIGMAR1 4778/4885

“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.