SCHEMBL894532

SCHEMBL894532

CC(C)(C)OC(=O)N1Cc2ccccc2CC1C=O

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
OPRD1 P41143 1/20 0.46
PRMT5 O14744 3/20 0.44
WDR77 Q9BQA1 3/20 0.44
MAPK1 P28482 1/20 0.44
NR1D1 P20393 1/20 0.43
HDAC8 Q9BY41 2/20 0.42
DRD2 P14416 3/20 0.42
PTPN1 P18031 2/20 0.41

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
SCHEMBL3920405 1.00 NAMPT (0.49) NAMPTMEN1KMT2AOPRD1PRMT5
SCHEMBL30069435 1.00 NAMPT (0.49) NAMPTMEN1KMT2AOPRD1PRMT5
SCHEMBL15334651 1.00 NAMPT (0.49) NAMPTMEN1KMT2AOPRD1PRMT5
SCHEMBL30167033 1.00 NAMPT (0.49) NAMPTMEN1KMT2AOPRD1PRMT5
SCHEMBL2081527 1.00 NAMPT (0.49) NAMPTMEN1KMT2AOPRD1PRMT5
SCHEMBL30167028 0.89 NAMPT (0.44) NAMPTMEN1KMT2AOPRD1PRMT5
SCHEMBL3917500 0.89 NAMPT (0.44) NAMPTMEN1KMT2AOPRD1PRMT5
SCHEMBL3917502 0.89 NAMPT (0.44) NAMPTMEN1KMT2AOPRD1PRMT5
SCHEMBL30167045 0.89 NAMPT (0.44) NAMPTMEN1KMT2AOPRD1PRMT5
SCHEMBL10207322 0.87 NAMPT (0.44) NAMPTMEN1KMT2AOPRD1PRMT5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117586170-B Indolinyl acyl derivative and synthetic method of isoquinoline formyl derivative 江苏集萃分子工程研究院有限公司 2024-04-09 CN claimed
CN-117586170-A Indolinyl acyl derivative and synthetic method of isoquinoline formyl derivative 江苏集萃分子工程研究院有限公司 2024-02-23 CN claimed
EP-0678099-A1 NEW PEPTIDES Astra Aktiebolag (SE) 1995-10-25 EP claimed
WO-1994015959-A1 NEW PEPTIDES ASTRA AKTIEBOLAG (SE) 1994-07-21 WO claimed
US-12582645-B2 Chemokine CXCR4 receptor modulators and uses related thereto EMORY UNIVERSITY (US) 2026-03-24 US disclosed
US-20240316034-A1 Chemokine CXCR4 Receptor Modulators and Uses Related Thereto UNIV EMORY (US) 2024-09-26 US disclosed
CN-117586170-B Indolinyl acyl derivative and synthetic method of isoquinoline formyl derivative 江苏集萃分子工程研究院有限公司 2024-04-09 CN disclosed
CN-117586170-A Indolinyl acyl derivative and synthetic method of isoquinoline formyl derivative 江苏集萃分子工程研究院有限公司 2024-02-23 CN disclosed
US-20230112832-A1 Chemokine CXCR4 Receptor Modulators and Uses Related Thereto UNIV EMORY (US) 2023-04-13 US disclosed
US-11497744-B2 Chemokine CXCR4 receptor modulators and uses related thereto EMORY UNIVERSITY (US) 2022-11-15 US disclosed
US-11389464-B2 Arginase inhibitors as therapeutics MARS, INCORPORATED (US) 2022-07-19 US disclosed
EP-3189041-B1 TETRAHYDROISOQUINOLINE DERIVED PRMT5-INHIBITORS CTXT PTY LTD (AU) 2021-04-28 EP disclosed
WO-2002059107-A1 SUBSTITUTED PIPERIDINES/PIPERAZINES AS MELANOCORTIN RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2002-08-01 WO disclosed
WO-2002036116-A2 TRIPEPTIDYL PEPTIDASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2002-05-10 WO disclosed
US-5733881-A Opioid peptide antagonists ASTRA AB (SE) 1998-03-31 US disclosed
EP-0777682-A1 NEW OPIOID PEPTIDE ANTAGONISTS Astra Aktiebolag (SE) 1997-06-11 EP disclosed
US-5602099-A ANALGESICS, IMMUNOSUPPRESANTS AKTIEBOLAGET ASTRA (SE) 1997-02-11 US disclosed
WO-1995035316-A1 NEW OPIOID PEPTIDE ANTAGONISTS ASTRA AKTIEBOLAG (SE) 1995-12-28 WO disclosed
EP-0678099-A1 NEW PEPTIDES Astra Aktiebolag (SE) 1995-10-25 EP disclosed
WO-1994015959-A1 NEW PEPTIDES ASTRA AKTIEBOLAG (SE) 1994-07-21 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 (5 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-20240316034-A1 Chemokine CXCR4 Receptor Modulators and Uses Related Thereto CXCR4, CXCL12, CXCR1 NAMPT 450/4885MEN1 4543/4885KMT2A 4253/4885
US-11389464-B2 Arginase inhibitors as therapeutics ARG1, ARG2, PRMT1 NAMPT 2147/4885MEN1 3256/4885KMT2A 1050/4885
US-11497744-B2 Chemokine CXCR4 receptor modulators and uses related thereto CXCR4, CXCL12, CXCR1 NAMPT 450/4885MEN1 4543/4885KMT2A 4253/4885
US-20230112832-A1 Chemokine CXCR4 Receptor Modulators and Uses Related Thereto CXCR4, CXCL12, CXCR1 NAMPT 450/4885MEN1 4543/4885KMT2A 4253/4885
US-12582645-B2 Chemokine CXCR4 receptor modulators and uses related thereto CXCR4, CXCR2, CXCR1 NAMPT 1416/4885MEN1 4454/4885KMT2A 2692/4885

“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.