SCHEMBL2688968

SCHEMBL2688968

CC(=O)C1CCCc2cccnc21

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
P2RX7 Q99572 2/20 0.40
ADORA2A P29274 1/20 0.40
CXCR4 P61073 5/20 0.39
CYP2D6 P10635 2/20 0.39
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
MAPK1 P28482 1/20 0.38
F2 P00734 1/20 0.38
F12 P00748 1/20 0.38
CHRM3 P20309 1/20 0.37

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
SCHEMBL29640806 1.00 HDAC1 (0.45) HDAC1HDAC6P2RX7ADORA2ACXCR4
SCHEMBL11983384 0.90 FNTA (0.40) HDAC1HDAC6P2RX7FNTAFNTB
SCHEMBL2597816 0.86 HDAC1 (0.46) HDAC1HDAC6P2RX7ADORA2ACXCR4
SCHEMBL27766407 0.85 HDAC1 (0.44) HDAC1HDAC6P2RX7ADORA2ACXCR4
SCHEMBL2305432 0.84 HDAC1 (0.45) HDAC1HDAC6P2RX7ADORA2ACXCR4
SCHEMBL27951689 0.84 HDAC1 (0.46) HDAC1HDAC6P2RX7ADORA2ACXCR4
SCHEMBL3312236 0.84 HDAC1 (0.46) HDAC1HDAC6P2RX7ADORA2ACXCR4
SCHEMBL30558705 0.84 HDAC1 (0.46) HDAC1HDAC6P2RX7ADORA2ACXCR4
SCHEMBL9770662 0.82 MCL1 (0.49) HDAC1HDAC6P2RX7CXCR4F2
SCHEMBL12185906 0.80 HDAC1 (0.43) HDAC1HDAC6CXCR4FNTAFNTB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3405453-B1 A METHOD FOR PREPARING POLY(CARBONATE-ETH ERIMIDE) COMPOUND PTT GLOBAL CHEMICAL PUBLIC CO LTD (TH) 2024-05-29 EP claimed
US-10759904-B2 Method for preparing poly(carbonate-etherimide) compound PTT GLOBAL CHEMICAL PUBLIC COMPANY LIMITED (TH) 2020-09-01 US claimed
US-20190202980-A1 METHOD FOR PREPARING POLY(CARBONATE-ETHERIMIDE) COMPOUND PTT GLOBAL CHEMICAL PUBLIC COMPANY LIMITED (TH) 2019-07-04 US claimed
EP-3405453-A2 A METHOD FOR PREPARING POLY(CARBONATE-ETH ERIMIDE) COMPOUND PTT Global Chemical Public Company Limited (TH) 2018-11-28 EP claimed
US-20250230137-A1 P300/CBP HAT INHIBITORS CONSTELLATION PHARMACEUTICALS INC (US) 2025-07-17 US disclosed
EP-3752497-B1 P300/CBP HAT INHIBITORS CONSTELLATION PHARMACEUTICALS INC (US) 2024-07-17 EP disclosed
EP-3405453-B1 A METHOD FOR PREPARING POLY(CARBONATE-ETH ERIMIDE) COMPOUND PTT GLOBAL CHEMICAL PUBLIC CO LTD (TH) 2024-05-29 EP disclosed
US-20220331304-A1 COMPOUNDS FOR USE IN TREATING NEUROLOGICAL DISORDERS CONSTELLATION PHARMACEUTICALS, INC. 2022-10-20 US disclosed
WO-2022091001-A1 PROCESS FOR PREPARATION OF PALBOCICLIB PFIZER IRELAND PHARMACEUTICALS (IE) 2022-05-05 WO disclosed
CN-109071488-B Substituted 1,2, 3-triazoles as NR 2B-selective NMDA modulators 詹森药业有限公司 2021-08-13 CN disclosed
US-20210115008-A1 P300/CBP HAT INHIBITORS CONSTELLATION PHARMACEUTICALS, INC. 2021-04-22 US disclosed
EP-3752497-A1 P300/CBP HAT INHIBITORS Constellation Pharmaceuticals, Inc. (US) 2020-12-23 EP disclosed
US-20130196985-A1 HETEROCYCLIC ALKYNYL BENZENE COMPOUNDS AND MEDICAL COMPOSITIONS AND USES THEREOF Guangzzhou Institute of Biomedicine and Health, Chineses Academy of Sciences (CN) 2013-08-01 US disclosed
EP-2594567-A1 HETEROCYCLIC ALKYNYL BENZENE COMPOUNDS AND MEDICAL COMPOSITIONS AND USES THEREOF Guangzhou Institute Of Biomedicine And Health, Chinese Academy Of Sciences (CN) 2013-05-22 EP disclosed
US-20130109566-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2013-05-02 US disclosed
WO-2013062981-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2013-05-02 WO disclosed
WO-2012061290-A2 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2012-05-10 WO disclosed
US-20120110702-A1 Pesticidal Compositions and Processes Related Thereto CORTEVA AGRISCIENCE LLC 2012-05-03 US disclosed
CN-101402537-B Uses of 2-pyridine-beta ketone compounds GUANGZHOU INST BIOMED & HEALTH 2011-04-27 CN disclosed
CN-101402537-A Uses of 2-pyridine-beta ketone compounds GUANGZHOU INST BIOMED & HEALTH (CN) 2009-04-08 CN 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 (6 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-20130109566-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, PTMS HDAC1 2725/4885HDAC6 1719/4885P2RX7 181/4885
US-20210115008-A1 P300/CBP HAT INHIBITORS EP300, HDAC1, KAT2A HDAC1 2/4885HDAC6 28/4885P2RX7 4072/4885
US-20130196985-A1 HETEROCYCLIC ALKYNYL BENZENE COMPOUNDS AND MEDICAL COMPOSITIONS AND USES THEREOF ABCB1, VHL, ABCC1 HDAC1 2883/4885HDAC6 1926/4885P2RX7 478/4885
US-20220331304-A1 COMPOUNDS FOR USE IN TREATING NEUROLOGICAL DISORDERS CLN6, ACHE, NLN HDAC1 1289/4885HDAC6 112/4885P2RX7 1343/4885
US-20250230137-A1 P300/CBP HAT INHIBITORS EP300, HDAC1, KAT2A HDAC1 2/4885HDAC6 28/4885P2RX7 4072/4885
US-20120110702-A1 Pesticidal Compositions and Processes Related Thereto ACHE, DDT, PTMS HDAC1 2725/4885HDAC6 1719/4885P2RX7 181/4885

“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.