SCHEMBL3387649

SCHEMBL3387649

CCOC(=O)c1cc(C2CCC2)[nH]n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.61
KMT2A Q03164 2/20 0.46
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
NPSR1 Q6W5P4 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
POLB P06746 2/20 0.43
CDK2 P24941 3/20 0.43

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
SCHEMBL4127272 0.97 HCAR2 (0.57) HCAR2KMT2AHDAC3HDAC4HDAC1
SCHEMBL16564121 0.96 HCAR2 (0.56) HCAR2KMT2AHDAC3HDAC4HDAC1
SCHEMBL19100014 0.94 HCAR2 (0.59) HCAR2KMT2ANPSR1L3MBTL1MEN1
SCHEMBL29276120 0.77 HCAR2 (0.65) HCAR2KMT2AL3MBTL1MEN1NPC1
SCHEMBL6761699 0.77 HCAR2 (1.00) HCAR2HDAC3HDAC4HDAC1HDAC7
SCHEMBL12745081 0.75 ALDH1A1 (0.46) KMT2ANPSR1L3MBTL1MEN1NPC1
SCHEMBL1665229 0.75 DAO (0.58) HCAR2KMT2ANPSR1L3MBTL1POLB
SCHEMBL17162268 0.74 ALPL (0.51) HCAR2KMT2AL3MBTL1MEN1NPC1
SCHEMBL22637835 0.74 KMT2A (0.46) HCAR2KMT2ANPSR1L3MBTL1POLB
SCHEMBL5599267 0.74 HCAR2 (0.56) HCAR2KMT2ANPSR1L3MBTL1NPC1

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
EP-4605397-A1 HETEROAROMATIC MACROCYCLIC ETHER CHEMOTHERAPEUTIC AGENTS Nuvalent, Inc. (US) 2025-08-27 EP disclosed
CN-120035594-A Heteroaromatic macrocyclic ether chemotherapeutic agents 纽威伦特公司 2025-05-23 CN disclosed
WO-2024086634-A1 HETEROAROMATIC MACROCYCLIC ETHER CHEMOTHERAPEUTIC AGENTS NUVALENT, INC. (US) 2024-04-25 WO disclosed
WO-2010043633-A1 2H-PYRAZOLO [4,3-D]PYRIMIDIN-5-AMINE DERIVATIVES AS H4 HISTAMINE RECEPTOR ANTAGONISTS FOR THE TREATMENT OF ALLERGIC, IMMUNOLOGICAL AND INFLAMMATORY DISEASES PALAU PHARMA, S. A. (ES) 2010-04-22 WO disclosed
US-20040220186-A1 PDE9 inhibitors for treating type 2 diabetes,metabolic syndrome, and cardiovascular disease PFIZER INC. 2004-11-04 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 (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-20040220186-A1 PDE9 inhibitors for treating type 2 diabetes,metabolic syndrome, and cardiovascular disease PDE9A, PDE2A, PDE12 HCAR2 1162/4885KMT2A 2217/4885HDAC3 1008/4885

“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.