SCHEMBL1889066

SCHEMBL1889066

COc1cc(CN2CCNCC2)cc(OC)c1OC

nearest known ligand 0.97

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.67
MEN1 O00255 3/20 0.67
KMT2A Q03164 3/20 0.67
ALDH1A1 P00352 1/20 0.67
TDP1 Q9NUW8 1/20 0.67
POLB P06746 1/20 0.60
CYP1A2 P05177 1/20 0.59
CHRM2 P08172 1/20 0.59
SLC6A4 P31645 1/20 0.59
OPRD1 P41143 1/20 0.59
OPRK1 P41145 1/20 0.59
APOBEC3A P31941 1/20 0.57
CTDSP1 Q9GZU7 1/20 0.57
APOBEC3G Q9HC16 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.56
CYP2C9 P11712 1/20 0.53
ALOX15 P16050 1/20 0.53
TSHR P16473 1/20 0.53
CYP2C19 P33261 1/20 0.53
HSD17B10 Q99714 1/20 0.53

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
Hydrochloric Acid SCHEMBL4811662 0.98 KDM4E (0.65) KDM4EMEN1KMT2AALDH1A1TDP1
Hydrochloric Acid SCHEMBL9620879 0.98 KDM4E (0.65) KDM4EMEN1KMT2AALDH1A1TDP1
Hydrochloric Acid SCHEMBL9620928 0.93 KDM4E (0.64) KDM4EMEN1KMT2AALDH1A1TDP1
Isopropyl Alcohol SCHEMBL9781878 0.93 KDM4E (0.58) KDM4EMEN1KMT2AALDH1A1TDP1
Isopropyl Alcohol SCHEMBL10448138 0.91 KDM4E (0.57) KDM4EMEN1KMT2AALDH1A1TDP1
Hydrochloric Acid SCHEMBL15302757 0.86 KDM4E (0.51) KDM4EMEN1KMT2AALDH1A1TDP1
Hydrochloric Acid SCHEMBL10334149 0.86 KDM4E (0.75) KDM4EMEN1KMT2AALDH1A1TDP1
SCHEMBL9212536 0.85 GAA (0.71) KDM4EMEN1KMT2AALDH1A1TDP1
SCHEMBL9832407 0.84 KDM4E (0.81) KDM4EMEN1KMT2AALDH1A1TDP1
SCHEMBL7297538 0.84 SLC6A4 (0.49) KDM4EMEN1KMT2AALDH1A1TDP1

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 68 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1201268-A2 Combinations of D4 dopamine receptor antagonists with acetylcholine esterase inhibitors Pfizer Products Inc. (US) 2002-05-02 EP claimed
JP-61251676-A None JP disclosed
US-20230365546-A1 5-SUBSTITUTED INDOLE 3-AMIDE DERIVATIVES, PREPARATION METHOD AND USE THEREOF ORIGIANT PHARMACEUTICAL CO., LTD (CN) 2023-11-16 US disclosed
CN-116637093-A Application of 2,3, 4-trimethoxybenzaldehyde in preparing medicine for treating symptoms caused by myocardial and/or cerebral ischemia and hypoxia 郭萍 2023-08-25 CN disclosed
EP-4212525-A1 5-SUBSTITUTED INDOLE 3-AMIDE DERIVATIVE, PREPARATION METHOD AND USE THEREOF Origiant Pharmaceutical Co., Ltd (CN) 2023-07-19 EP disclosed
US-20180360824-A1 PROCASPASE-ACTIVATING COMPOUNDS AND METHODS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2018-12-20 US disclosed
US-10022371-B2 Procaspase-activating compounds and methods THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2018-07-17 US disclosed
US-10022371-B2 Procaspase-activating compounds and methods THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2018-07-17 US disclosed
US-20150231132-A1 PROCASPASE-ACTIVATING COMPOUNDS AND METHODS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2015-08-20 US disclosed
US-20150231132-A1 PROCASPASE-ACTIVATING COMPOUNDS AND METHODS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2015-08-20 US disclosed
EP-0284359-A1 1,4-Disubstituted piperazine compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1988-09-28 EP disclosed
US-4728650-A ANTIULCER, ANTITUSSIVE, EXPECTORANTS KURARAY CO., LTD. (JP) 1988-03-01 US disclosed
EP-0202580-A2 3,4-Dihydrobenzopyran derivatives KURARAY CO., LTD. (JP) 1986-11-26 EP disclosed
JP-S61251676-A NOVEL TRIMETHOXYBENZYLPIPERAZINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING SAID COMPOUND AS ACTIVE COMPONENT KANEBO LTD 1986-11-08 JP disclosed
EP-0038160-B1 QUINONE COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1984-09-19 EP disclosed
US-4393075-A SLOW-REACTING-SUBSTANCE OF ANAPHYLAXIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1983-07-12 US disclosed
US-4374990-A ANTIDEPRESSANTS HOECHST AKTIENGESELLSCHAFT (DE) 1983-02-22 US disclosed
EP-0038160-A1 Quinone compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1981-10-21 EP disclosed
US-4115569-A PARASITICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1978-09-19 US disclosed
US-3957790-A VASODILATORS TOKYO TANABE COMPANY, LTD. (JA) 1976-05-18 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-20230365546-A1 5-SUBSTITUTED INDOLE 3-AMIDE DERIVATIVES, PREPARATION METHOD AND USE THEREOF RIPK1, RIPK3, RIPK2 KDM4E 1715/4885MEN1 1745/4885KMT2A 2607/4885
US-20150231132-A1 PROCASPASE-ACTIVATING COMPOUNDS AND METHODS CASP3, CASP5, CASP6 KDM4E 1115/4885MEN1 3281/4885KMT2A 3185/4885
US-20180360824-A1 PROCASPASE-ACTIVATING COMPOUNDS AND METHODS CASP3, CASP5, CASP6 KDM4E 1115/4885MEN1 3281/4885KMT2A 3185/4885
US-10022371-B2 Procaspase-activating compounds and methods CASP3, CASP5, CASP6 KDM4E 1115/4885MEN1 3281/4885KMT2A 3185/4885

“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.