SCHEMBL19852857

SCHEMBL19852857

CC(C)(C)Cc1ccc(CCN)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 9/20 0.56
CYP2A6 P11509 2/20 0.56
CYP1A2 P05177 1/20 0.56
ESR1 P03372 1/20 0.54
HTR2A P28223 4/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
HTR1A P08908 1/20 0.50
ADRA2A P08913 1/20 0.50
SLC6A2 P23975 1/20 0.50
CYP2C19 P33261 1/20 0.50
HTR3A P46098 1/20 0.50
BACE1 P56817 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
BLM P54132 1/20 0.48
KMT2A Q03164 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
LOXL2 Q9Y4K0 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
GFER P55789 1/20 0.46

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
SCHEMBL21367140 0.85 MAOA (0.54) TAAR1CYP2A6CYP1A2ESR1HTR2A
SCHEMBL10875275 0.84 HTR2A (0.59) TAAR1CYP2A6CYP1A2HTR2AKDM4E
SCHEMBL861221 0.82 ESR1 (0.61) TAAR1ESR1HTR2AALDH1A1SLC6A2
SCHEMBL6685103 0.82 ESR1 (0.74) TAAR1ESR1HTR2AALDH1A1SLC6A2
SCHEMBL74590 0.80 ESR1 (0.58) TAAR1ESR1HTR2ASLC6A2LOXL2
SCHEMBL224548 0.79 TAAR1 (0.72) TAAR1CYP2A6CYP1A2HTR2AKDM4E
SCHEMBL22386740 0.79 TAAR1 (0.57) TAAR1CYP2A6HTR2AKDM4ELOXL2
Ethane SCHEMBL23291175 0.77 GFER (0.68) TAAR1CYP2A6CYP1A2HTR2AKDM4E
SCHEMBL143553 0.76 GFER (0.77) TAAR1CYP2A6CYP1A2HTR2AKDM4E
SCHEMBL716077 0.76 TAAR1 (0.61) TAAR1CYP2A6CYP1A2HTR2AKDM4E

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
US-20210159135-A1 CROSS LINKED SURFACE COATING AND INTERFACIAL LAYER FOR A PEROVSKITE MATERIAL PHOTOVOLTAIC DEVICE CUBICPV INC. 2021-05-27 US disclosed
US-20210159419-A1 NON-FULLERENE ACCEPTORS (NFAS) AS INTERFACIAL LAYERS IN PEROVSKITE SEMICONDUCTOR DEVICES CUBICPV INC. 2021-05-27 US disclosed
WO-2020060494-A1 ACID-SENSITIVE DEGRADABLE IMIDAZOLIUM POLYMERS FOR ANTIMICROBIAL APPLICATIONS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2020-03-26 WO disclosed
EP-2427451-B1 ALPHA HELIX MIMETICS AND METHODS RELATING THERETO PRISM BIOLAB CO LTD (JP) 2019-03-20 EP disclosed
WO-2018026743-A1 CROSSLINKING OF HYDROXIDE STABLE, POLYBENZIMIDAZOLIUMS AND POLYIMIDAZOLIUMS MEMBRANES AND IONOMERS SIMON FRASER UNIVERSITY (CA) 2018-02-08 WO 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-20210159419-A1 NON-FULLERENE ACCEPTORS (NFAS) AS INTERFACIAL LAYERS IN PEROVSKITE SEMICONDUCTOR DEVICES NBAS, TNK1, NME1 TAAR1 1535/4885CYP2A6 2910/4885CYP1A2 1057/4885

“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.