SCHEMBL9048604

SCHEMBL9048604

CC(C)(C)OC(=O)N1CCN(C(=O)c2ccco2)CC1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.63
ALDH1A1 P00352 7/20 0.60
NPSR1 Q6W5P4 2/20 0.60
HTT P42858 1/20 0.60
MAPK1 P28482 1/20 0.58
TSHR P16473 2/20 0.58
POLB P06746 1/20 0.57
THRB P10828 1/20 0.56
TP53 P04637 1/20 0.56
LMNA P02545 1/20 0.56
GAA P10253 1/20 0.55

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
SCHEMBL13556486 0.86 KMT2A (0.47) KMT2AALDH1A1NPSR1HTTPOLB
SCHEMBL16026437 0.83 ALDH1A1 (0.83) KMT2AALDH1A1NPSR1HTTMAPK1
SCHEMBL4544770 0.81 ALDH1A1 (0.65) ALDH1A1NPSR1HTTMAPK1TSHR
SCHEMBL12788641 0.81 ALDH1A1 (0.65) KMT2AALDH1A1NPSR1HTTMAPK1
SCHEMBL17078787 0.80 CHRNB2 (0.44) KMT2AALDH1A1NPSR1HTTTHRB
SCHEMBL17078785 0.80 CHRNB2 (0.44) KMT2AALDH1A1NPSR1HTTTHRB
SCHEMBL29313174 0.79 NPC1 (0.46) KMT2AALDH1A1THRBTP53
SCHEMBL12788401 0.79 ALDH1A1 (0.68) KMT2AALDH1A1NPSR1HTTMAPK1
SCHEMBL13804475 0.79 ALDH1A1 (0.71) ALDH1A1NPSR1HTTMAPK1TSHR
SCHEMBL1372147 0.79 CYP1A2 (0.75) ALDH1A1NPSR1HTTMAPK1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250092067-A1 APT1 and APT2 Inhibitors and Uses Thereof CORNELL UNIVERSITY 2025-03-20 US disclosed
CN-117820287-A Magnolol derivative, and preparation method and application thereof 中国药科大学 2024-04-05 CN disclosed
WO-2022246115-A1 APT1 AND APT2 INHIBITORS AND USES THEREOF CORNELL UNIVERSITY (US) 2022-11-24 WO disclosed
EP-0703908-A1 ANALGESIC DIBENZOXAZEPINES AND DIBENZOTHIAZEPINES G.D. SEARLE & CO. (US) 1996-04-03 EP disclosed
US-5461047-A Analgesics and treats prostaglandin-E2 mediated diseases in animals G. D. SEARLE & CO. (US) 1995-10-24 US disclosed
WO-1994029286-A1 ANALGESIC DIBENZOXAZEPINES AND DIBENZOTHIAZEPINES G.D. SEARLE & CO. (US) 1994-12-22 WO disclosed
US-5354747-A Analgesics G. D. SEARLE & CO. (US) 1994-10-11 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-20250092067-A1 APT1 and APT2 Inhibitors and Uses Thereof LYPLA2, LYPLA1, PPT1 KMT2A 686/4885ALDH1A1 3083/4885NPSR1 4681/4885

“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.