SCHEMBL4562816

SCHEMBL4562816

CCCCCc1n[nH]cc1C=O

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.39
EPAS1 Q99814 1/20 0.39
HCAR2 Q8TDS4 2/20 0.34
HCAR3 P49019 1/20 0.34
GPR84 Q9NQS5 9/20 0.33
MAPT P10636 1/20 0.32

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
SCHEMBL27771655 0.95 HRH3 (0.34) HIF1AEPAS1HCAR2HCAR3
SCHEMBL16446651 0.87 CYSLTR2 (0.33)
SCHEMBL370841 0.74 TDP1 (0.35) HCAR2HCAR3MAPT
SCHEMBL6261189 0.74 HIF1A (0.40) HIF1AEPAS1HCAR2HCAR3GPR84
SCHEMBL1228572 0.73 HCAR2 (0.37) HCAR2HCAR3GPR84
SCHEMBL20734522 0.73 KCNH2 (0.37) HCAR2GPR84MAPT
SCHEMBL5815987 0.73 DHFR (0.40) HCAR2HCAR3GPR84MAPT
SCHEMBL574839 0.73 HCAR2 (0.40) HIF1AHCAR2HCAR3MAPT
SCHEMBL28300224 0.73 LIPG (0.38) HCAR2GPR84MAPT
SCHEMBL28300226 0.73 LIPG (0.38) HCAR2GPR84MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117597333-A Heterocyclic compounds as receptor 2-triggering agonists expressed on myeloid cells and methods of use 维吉尔神经科学股份有限公司 2024-02-23 CN disclosed
WO-2017040449-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL-MYERS SQUIBB COMPANY (US) 2017-03-09 WO disclosed
US-8188080-B2 VHR protein tyrosine phosphatase inhibitors, compositions and methods of use SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2012-05-29 US disclosed
US-20090105254-A1 VHR PROTEIN TYROSINE PHOSPHATASE INHIBITORS, COMPOSITIONS AND METHODS OF USE BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2009-04-23 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-20090105254-A1 VHR PROTEIN TYROSINE PHOSPHATASE INHIBITORS, COMPOSITIONS AND METHODS OF USE PTPRR, PTPRS, PTPRCAP HIF1A 4231/4885EPAS1 2355/4885HCAR2 2772/4885

“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.