SCHEMBL9736670

SCHEMBL9736670

CCNCCc1ccc2c(c1)OCO2

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.59
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
TAAR1 Q96RJ0 1/20 0.57
KDM4E B2RXH2 3/20 0.54
ALDH1A1 P00352 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
LMNA P02545 1/20 0.54
PKM P14618 1/20 0.54
HDAC3 O15379 1/20 0.51
HDAC4 P56524 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC10 Q969S8 1/20 0.51
HDAC11 Q96DB2 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
HDAC9 Q9UKV0 1/20 0.51
HDAC5 Q9UQL6 1/20 0.51

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
SCHEMBL30496700 0.90 POLB (0.66) POLBMEN1KMT2ATAAR1KDM4E
SCHEMBL23389370 0.89 POLB (0.58) POLBMEN1KMT2ATAAR1KDM4E
SCHEMBL30859493 0.89 POLB (0.58) POLBMEN1KMT2ATAAR1KDM4E
SCHEMBL108732 0.85 POLB (0.69) POLBMEN1KMT2ATAAR1KDM4E
SCHEMBL429483 0.84 TAAR1 (0.67) TAAR1KDM4EALDH1A1TDP1LMNA
SCHEMBL20689715 0.83 POLB (0.59) POLBMEN1KMT2ATAAR1KDM4E
SCHEMBL12509821 0.83 ALDH1A1 (0.63) MEN1KMT2AKDM4EALDH1A1
Homarylamine SCHEMBL29412731 0.83 TAAR1 (0.61) POLBTAAR1KDM4EALDH1A1TDP1
Homarylamine SCHEMBL1237889 0.83 TAAR1 (0.61) POLBTAAR1KDM4EALDH1A1TDP1
SCHEMBL30614477 0.83 POLB (0.56) POLBMEN1KMT2ATAAR1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119923380-A N-substituted phenylalkylamines and their use as therapeutic agents 亚历山大舒尔金研究所有限公司 2025-05-02 CN disclosed
US-12043605-B2 Deuterated empathogens ALEXANDER SHULGIN RESEARCH INSTITUTE, INC. (US) 2024-07-23 US disclosed
WO-2023229295-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION OR TREATMENT OF CANCER COMPRISING PHENYLPROPENE DERIVATIVE AS ACTIVE INGREDIENT 재단법인 대구경북첨단의료산업진흥재단 2023-11-30 WO disclosed
WO-2023081897-A1 ISOTOPICALLY ENRICHED 3,4-METHYLENEDIOXY-N-ETHYLAMPHETAMINE (MDE) AND STEREOISOMERS THEREOF TERRAN BIOSCIENCES, INC. (US) 2023-05-11 WO disclosed
US-9447081-B2 Substituted pyrimidines as pharmaceuticals and insecticides SHENYANG SINOCHEM AGROCHEMICALS R&D CO., LTD. (CN) 2016-09-20 US disclosed
US-20150225378-A1 HOMOPIPERONY LAMINE COMPOUND AND USE THEREOF SINOCHEM CORPORATION (CN) 2015-08-13 US disclosed
US-5120759-A TETRAHYDRONAPHTHALENE DERIVATIVES FOR IMPROVING SHORT-TERM MEMORY HOFFMANN-LA ROCHE INC. (US) 1992-06-09 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-12043605-B2 Deuterated empathogens SLC18A2, SLC6A3, GAP43 POLB 3148/4885MEN1 2182/4885KMT2A 1364/4885
US-20150225378-A1 HOMOPIPERONY LAMINE COMPOUND AND USE THEREOF CLPP, LRRK2, MYB POLB 2222/4885MEN1 59/4885KMT2A 3039/4885

“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.