SCHEMBL9966563

SCHEMBL9966563

NC1(c2ccc(Br)cc2)CCOCC1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
MGLL Q99685 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
CNR1 P21554 1/20 0.35
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
BLM P54132 1/20 0.34

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
SCHEMBL19330910 0.88 TAAR1 (0.38) HDAC3HDAC1HDAC7HDAC2HDAC8
SCHEMBL991567 0.84 CYP2A6 (0.42) TAAR1
Hydrochloric Acid SCHEMBL5060581 0.82 KDM1A (0.40)
SCHEMBL255382 0.80 AKT2 (0.44)
SCHEMBL9966307 0.80 AKT1 (0.41)
SCHEMBL26504589 0.79 OPRM1 (0.32)
SCHEMBL1240436 0.79 MAOB (0.41) HDAC3HDAC1HDAC2
SCHEMBL14315747 0.79 ESR2 (0.43)
SCHEMBL26504450 0.79 LMNA (0.40) LMNA
SCHEMBL8155581 0.79 ALDH1A1 (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4676476-A1 INHIBITORS OF TDP-43 AND TAU AGGREGATION Aquinnah Pharmaceuticals, Inc. (US) 2026-01-14 EP disclosed
CN-113072546-B Five-membered heteroaromatic derivative and preparation method and application thereof 广东东阳光药业股份有限公司 2025-05-30 CN disclosed
WO-2024187126-A1 INHIBITORS OF TDP-43 AND TAU AGGREGATION AQUINNAH PHARMACEUTICALS, INC. (US) 2024-09-12 WO disclosed
US-20230286993-A1 CYCLIC ETHER DERIVATIVES OF PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXYAMIDE BOEHRINGER INGELHEIM INT (DE) 2023-09-14 US disclosed
US-20230286993-A1 CYCLIC ETHER DERIVATIVES OF PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXYAMIDE BOEHRINGER INGELHEIM INT (DE) 2023-09-14 US disclosed
US-11691977-B2 Cyclic ether derivatives of pyrazolo[1,5-A]pyrimidine-3-carboxyamide BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-07-04 US disclosed
US-11691977-B2 Cyclic ether derivatives of pyrazolo[1,5-A]pyrimidine-3-carboxyamide BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-07-04 US disclosed
US-20230000871-A1 GEM-DISUBSTITUTED HETEROCYCLIC COMPOUNDS AND THEIR USE AS IDH INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2023-01-05 US disclosed
EP-4055015-A1 GEM-DISUBSTITUTED HETEROCYCLIC COMPOUNDS AND THEIR USE AS IDH INHIBITORS Nerviano Medical Sciences S.r.l. (IT) 2022-09-14 EP disclosed
CN-115038700-A Gem disubstituted heterocyclic compounds and their use as IDH inhibitors 内尔维亚诺医疗科学公司 2022-09-09 CN disclosed
US-10479794-B2 Cyclic ether derivatives of pyrazolo[1,5-a]pyrimidine-3-carboxyamide BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-11-19 US disclosed
US-10023575-B2 Cyclic ether derivatives of pyrazolo[1,5-a]pyrimidine-3-carboxyamide BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-07-17 US disclosed
US-10023575-B2 Cyclic ether derivatives of pyrazolo[1,5-a]pyrimidine-3-carboxyamide BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-07-17 US disclosed
US-20180134720-A1 CYCLIC ETHER DERIVATIVES OF PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXYAMIDE BOEHRINGER INGELHEIM INT (DE) 2018-05-17 US disclosed
US-20180134720-A1 CYCLIC ETHER DERIVATIVES OF PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXYAMIDE BOEHRINGER INGELHEIM INT (DE) 2018-05-17 US disclosed
WO-2017064082-A1 CYCLIC ETHER DERIVATIVES OF PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXYAMIDE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-04-20 WO disclosed
EP-3156405-A1 SPIROCYCLIC ETHER DERIVATIVES OF PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXAMIDE Boehringer Ingelheim International GmbH (DE) 2017-04-19 EP disclosed
US-20170101411-A1 CYCLIC ETHER DERIVATIVES OF PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXYAMIDE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-04-13 US disclosed
US-20170101411-A1 CYCLIC ETHER DERIVATIVES OF PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXYAMIDE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-04-13 US disclosed
WO-2012082817-A1 BIARYLAMIDE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-21 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 (7 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-10479794-B2 Cyclic ether derivatives of pyrazolo[1,5-a]pyrimidine-3-carboxyamide CNP, PDE5A, PDE3A HDAC3 999/4885HDAC1 1260/4885HDAC7 1657/4885
US-20180134720-A1 CYCLIC ETHER DERIVATIVES OF PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXYAMIDE CNP, PDE5A, PDE3A HDAC3 999/4885HDAC1 1260/4885HDAC7 1657/4885
US-20230286993-A1 CYCLIC ETHER DERIVATIVES OF PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXYAMIDE CNP, PDE3A, PDE5A HDAC3 644/4885HDAC1 930/4885HDAC7 1878/4885
US-20170101411-A1 CYCLIC ETHER DERIVATIVES OF PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXYAMIDE CNP, PDE5A, PDE3A HDAC3 999/4885HDAC1 1260/4885HDAC7 1657/4885
US-20230000871-A1 GEM-DISUBSTITUTED HETEROCYCLIC COMPOUNDS AND THEIR USE AS IDH INHIBITORS IDH1, IDH2, IDH3A HDAC3 225/4885HDAC1 129/4885HDAC7 998/4885
US-11691977-B2 Cyclic ether derivatives of pyrazolo[1,5-A]pyrimidine-3-carboxyamide CNP, PDE5A, PDE3A HDAC3 999/4885HDAC1 1260/4885HDAC7 1657/4885
US-10023575-B2 Cyclic ether derivatives of pyrazolo[1,5-a]pyrimidine-3-carboxyamide CNP, PDE5A, PDE3A HDAC3 999/4885HDAC1 1260/4885HDAC7 1657/4885

“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.