SCHEMBL21058253

SCHEMBL21058253

Cc1cccc(CNC(C)(C)CCc2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.42
ALDH1A1 P00352 4/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
ACHE P22303 1/20 0.41
BACE1 P56817 1/20 0.41
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
APP P05067 1/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
POLB P06746 1/20 0.40
BCHE P06276 1/20 0.39
CYP2D6 P10635 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
GRM2 Q14416 1/20 0.39
GRM3 Q14832 1/20 0.39

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
SCHEMBL5608113 0.85 SSTR4 (0.44) TAAR1ADRB2ADRB1KDM4ECYP2D6
SCHEMBL21058227 0.84 ATM (0.48) ALDH1A1NPC1RAB9AHPGDMEN1
SCHEMBL21058228 0.81 CASR (0.51) TAAR1ALDH1A1KDM4EBCHEMEN1
SCHEMBL21105099 0.80 ALDH1A1 (0.43) TAAR1ALDH1A1ACHEBACE1APP
SCHEMBL21058258 0.80 SIGMAR1 (0.45) BCHECYP2D6
SCHEMBL25156570 0.79 HTT (0.49) TAAR1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL12201615 0.78 IDO1 (0.50) TAAR1ALDH1A1ACHEKDM4EHPGD
SCHEMBL8855305 0.76 ALDH1A1 (0.48) TAAR1ALDH1A1RAB9AKDM4EHPGD
SCHEMBL11876143 0.76 TRPV1 (0.47) ADRB2BCHEMEN1KMT2ASSTR4
SCHEMBL11751773 0.75 CYP2D6 (0.48) TAAR1RAB9AKDM4ECYP2D6MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10865163-B2 Carbon dioxide as a directing group for C—H functionalization reactions involving Lewis basic amines, alcohols, thiols, and phosphines for the synthesis of compounds THE UNIVERSITY OF TOLEDO (US) 2020-12-15 US claimed
US-20190185392-A1 Carbon Dioxide as a Directing Group for C-H Functionalization Reactions Involving Lewis Basic Amines, Alcohols, Thiols, and Phosphines for the Synthesis of Compounds THE UNIVERSITY OF TOLEDO (US) 2019-06-20 US claimed
US-10865163-B2 Carbon dioxide as a directing group for C—H functionalization reactions involving Lewis basic amines, alcohols, thiols, and phosphines for the synthesis of compounds THE UNIVERSITY OF TOLEDO (US) 2020-12-15 US disclosed
US-10865163-B2 Carbon dioxide as a directing group for C—H functionalization reactions involving Lewis basic amines, alcohols, thiols, and phosphines for the synthesis of compounds THE UNIVERSITY OF TOLEDO (US) 2020-12-15 US disclosed
US-20190185392-A1 Carbon Dioxide as a Directing Group for C-H Functionalization Reactions Involving Lewis Basic Amines, Alcohols, Thiols, and Phosphines for the Synthesis of Compounds THE UNIVERSITY OF TOLEDO (US) 2019-06-20 US disclosed
US-20190185392-A1 Carbon Dioxide as a Directing Group for C-H Functionalization Reactions Involving Lewis Basic Amines, Alcohols, Thiols, and Phosphines for the Synthesis of Compounds THE UNIVERSITY OF TOLEDO (US) 2019-06-20 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-20190185392-A1 Carbon Dioxide as a Directing Group for C-H Functionalization Reactions Involving Lewis Basic Amines, Alcohols, Thiols, and Phosphines for the Synthesis of Compounds CHKB, HRH3, PNMT TAAR1 72/4885ALDH1A1 1501/4885NPC1 3363/4885
US-10865163-B2 Carbon dioxide as a directing group for C—H functionalization reactions involving Lewis basic amines, alcohols, thiols, and phosphines for the synthesis of compounds CHKB, HRH3, PNMT TAAR1 86/4885ALDH1A1 1388/4885NPC1 3396/4885

“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.