SCHEMBL13291514

SCHEMBL13291514

Cc1cc2cc(OCCN3CCOCC3)ccc2n1C(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 2/20 0.49
▸ NPC1 O15118 2/20 0.48
▸ KDM4E B2RXH2 4/20 0.48
▸ ALDH1A1 P00352 3/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ GAA P10253 1/20 0.47
▸ PDGFRB P09619 1/20 0.46
▸ PDGFRA P16234 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ TP53 P04637 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ ABHD6 Q9BV23 1/20 0.45
▸ EPHX2 P34913 1/20 0.44
▸ GPR4 P46093 1/20 0.44

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
SCHEMBL13291530 0.90 PSMB1 (0.48) KDM4EPDGFRBPDGFRAMEN1KMT2A
SCHEMBL3034095 0.83 BRD4 (0.52) BRD4NPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL14280018 0.81 HTT (0.40) SMN1; SMN2RAB9AKMT2ATSHR
SCHEMBL5481141 0.81 EPHX2 (0.46) BRD4ALDH1A1EPHX2
SCHEMBL3923323 0.79 BRD4 (0.43) BRD4NPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL30597772 0.78 KDM4E (0.49) KDM4EPDGFRBPDGFRA
SCHEMBL5480120 0.78 HRH3 (0.50) BRD4ALDH1A1EPHX2
SCHEMBL5335112 0.78 AURKA (0.60) BRD4KDM4EPDGFRBPDGFRATP53
SCHEMBL3047575 0.77 ATR (0.44) BRD4NPC1KDM4EALDH1A1PDGFRB
SCHEMBL11929929 0.76 ABHD6 (0.70) NPC1KDM4EALDH1A1SMN1; SMN2RAB9A

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
US-7745641-B2 Nitrogen-containing heterocyclic compound KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-06-29 — — US disclosed
US-7745641-B2 Nitrogen-containing heterocyclic compound KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-06-29 — — US disclosed
US-20090054407-A1 Nitrogen-containing heterocyclic compound KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-02-26 — — US disclosed
US-20090054407-A1 Nitrogen-containing heterocyclic compound KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-02-26 — — 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-20090054407-A1 Nitrogen-containing heterocyclic compound NR4A1, NR5A2, PRMT8 BRD4 47/4885NPC1 1107/4885KDM4E 488/4885

“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.

Send feedback