SCHEMBL625294

SCHEMBL625294

N#CC1(c2cccc(F)c2)CCOCC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ICMT O60725 1/20 0.44
PIK3CD O00329 2/20 0.43
PDE1A P54750 1/20 0.41
PDE1B Q01064 1/20 0.41
PDE1C Q14123 1/20 0.41
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KDM1A O60341 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
BDKRB1 P46663 1/20 0.37
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 2/20 0.37
SLC6A2 P23975 1/20 0.37
OPRM1 P35372 1/20 0.35

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
SCHEMBL10526309 0.88 KDM1A (0.46) KMT2AALDH1A1KDM1ABDKRB1SLC6A4
SCHEMBL626449 0.85 KDM1A (0.43) KMT2AALDH1A1KDM1ABDKRB1SLC6A4
SCHEMBL1018956 0.85 SLC6A4 (0.46) KMT2AALDH1A1KDM1ABDKRB1SLC6A4
SCHEMBL1020648 0.83 SLC6A4 (0.49) KMT2AALDH1A1KDM1AHDAC3HDAC1
SCHEMBL332904 0.83 MAP3K12 (0.36) ICMTPIK3CDPDE1APDE1BPDE1C
SCHEMBL1598590 0.82 KMT2A (0.41) PIK3CDKMT2AOPRM1
SCHEMBL7811081 0.81 KMT2A (0.40) PIK3CDKMT2AOPRM1
SCHEMBL1599547 0.81 KMT2A (0.40) PIK3CDKMT2AOPRM1
SCHEMBL5483394 0.81 ALDH1A1 (0.40) KMT2AALDH1A1KDM1ABDKRB1SLC6A4
SCHEMBL13439854 0.81 PIK3CD (0.45) ICMTPIK3CDKMT2ASLC6A3SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114213255-A Synthetic method of six-membered ring benzylamine compound 上海泰坦科技股份有限公司 2022-03-22 CN disclosed
CN-113979977-A Hexa-membered oxygen heterocyclic compound and synthetic method thereof 上海麦克林生化科技有限公司 2022-01-28 CN disclosed
US-9156788-B2 TRPV3 modulators ABBVIE INC. (US) 2015-10-13 US disclosed
EP-2603490-A1 NOVEL TRPV3 MODULATORS AbbVie Inc. (US) 2013-06-19 EP disclosed
US-20130150409-A1 NOVEL TRPV3 MODULATORS ABBVIE INC. (US) 2013-06-13 US disclosed
WO-2012019315-A1 NOVEL TRPV3 MODULATORS ABBOTT LABORATORIES (US) 2012-02-16 WO disclosed
US-7928139-B2 Naphthalenone compounds exhibiting prolyl hydroxylase inhibitory activity, compositions, and uses thereof AMGEN INC. (US) 2011-04-19 US disclosed
US-20100048572-A1 NAPHTHALENONE COMPOUNDS EXHIBITING PROLYL HYDROXYLASE INHIBITORY ACTIVITY, COMPOSITIONS, AND USES THEREOF AMGEN INC. (US) 2010-02-25 US disclosed
US-7635715-B2 Naphthalenone compounds exhibiting prolyl hydroxylase inhibitory activity, compositions, and uses thereof AMGEN INC. (US) 2009-12-22 US disclosed
EP-2111399-A2 NAPHTHALENONE COMPOUNDS EXHIBITING PROLYL HYDROXYLASE INHIBITORY ACTIVITY, COMPOSITIONS, AND USES THEREOF Amgen Inc. (US) 2009-10-28 EP disclosed
US-20090093483-A1 Naphthalenone compounds exhibiting prolyl hydroxylase inhibitory activity, compositions, and uses thereof AMGEN INC. (US) 2009-04-09 US disclosed
WO-2008076427-A2 NAPHTHALENONE COMPOUNDS EXHIBITING PROLYL HYDROXYLASE INHIBITORY ACTIVITY, COMPOSITIONS, AND USES THEREOF AMGEN INC. (US) 2008-06-26 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 (3 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-20100048572-A1 NAPHTHALENONE COMPOUNDS EXHIBITING PROLYL HYDROXYLASE INHIBITORY ACTIVITY, COMPOSITIONS, AND USES THEREOF EGLN2, EGLN3, HIF1AN ICMT 4300/4885PIK3CD 4191/4885PDE1A 2327/4885
US-20090093483-A1 Naphthalenone compounds exhibiting prolyl hydroxylase inhibitory activity, compositions, and uses thereof EGLN2, EGLN3, HIF1AN ICMT 4300/4885PIK3CD 4191/4885PDE1A 2327/4885
US-20130150409-A1 NOVEL TRPV3 MODULATORS TRPV3, TRPV4, TRPV5 ICMT 4872/4885PIK3CD 3482/4885PDE1A 483/4885

“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.