SCHEMBL9983229

SCHEMBL9983229

CC(C)N(C=CCc1ccccc1)C(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.54
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
ARG2 P78540 1/20 0.42
KCNH2 Q12809 3/20 0.38
TAAR1 Q96RJ0 4/20 0.38
SLC6A2 P23975 3/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 2/20 0.38
SIGMAR1 Q99720 2/20 0.38
MAOA P21397 1/20 0.38
CYP2A6 P11509 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
KMT2A Q03164 2/20 0.37
TSHR P16473 2/20 0.37
MEN1 O00255 1/20 0.37
MAPK1 P28482 1/20 0.37
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36

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
SCHEMBL18241009 1.00 MAOB (0.54) MAOBCA1CA2ARG2KCNH2
SCHEMBL7980743 0.77 MAOB (0.61) MAOBCA1CA2ARG2KCNH2
SCHEMBL7980741 0.77 MAOB (0.61) MAOBCA1CA2ARG2KCNH2
SCHEMBL6668054 0.73 MAOB (0.56) MAOBCA1CA2ARG2KCNH2
SCHEMBL107005 0.72 MAOB (0.61) MAOBCA1CA2ARG2KCNH2
SCHEMBL107006 0.72 MAOB (0.61) MAOBCA1CA2ARG2KCNH2
SCHEMBL1524697 0.72 MAOB (1.00) MAOBCA1CA2ARG2KCNH2
SCHEMBL155055 0.72 MAOB (1.00) MAOBCA1CA2ARG2KCNH2
SCHEMBL155054 0.72 MAOB (1.00) MAOBCA1CA2ARG2KCNH2
SCHEMBL107789 0.71 MAOB (0.65) MAOBCA1CA2ARG2KCNH2

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
EP-2044001-B1 PROCESS FOR PREPARATION OF 3-(2-HYDROXY-5-SUBSTITUTED PHENYL)-N-ALKYL-3-PHENYLPROPYLAMINES LEK PHARMACEUTICALS (SI) 2016-11-23 EP disclosed
US-20110306792-A1 PROCESS FOR PREPARING TOLTERODINE AND THE L-TARTRATE THEREOF 2Y-CHEM, LTD. (CN) 2011-12-15 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-20110306792-A1 PROCESS FOR PREPARING TOLTERODINE AND THE L-TARTRATE THEREOF ACHE, QDPR, DDC MAOB 11/4885CA1 640/4885CA2 1146/4885

“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.