SCHEMBL435398

SCHEMBL435398

N#CC1(c2cccc(C(F)(F)F)c2)CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAP3K12 Q12852 2/20 0.46
KDM1A O60341 2/20 0.44
SLC6A4 P31645 3/20 0.43
BDKRB1 P46663 1/20 0.41
SLC6A3 Q01959 2/20 0.41
SLC6A2 P23975 1/20 0.41
PIK3CD O00329 1/20 0.39
KMT2A Q03164 1/20 0.38
OPRL1 P41146 2/20 0.38
HCAR3 P49019 1/20 0.38
HCAR2 Q8TDS4 1/20 0.38
OPRM1 P35372 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
KCNN4 O15554 1/20 0.37

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
SCHEMBL4437271 0.89 KDM1A (0.50) KDM1ASLC6A4BDKRB1SLC6A3SLC6A2
SCHEMBL15862525 0.86 SLC6A4 (0.54) KDM1ASLC6A4BDKRB1SLC6A3SLC6A2
SCHEMBL625836 0.86 SLC6A4 (0.50) KDM1ASLC6A4BDKRB1SLC6A3SLC6A2
SCHEMBL3518646 0.85 SLC6A4 (0.56) KDM1ASLC6A4BDKRB1SLC6A3SLC6A2
SCHEMBL3135942 0.82 TACR1 (0.46) MAP3K12KDM1ASLC6A4BDKRB1SLC6A3
SCHEMBL627580 0.81 MAP3K12 (0.44) MAP3K12KDM1ASLC6A3OPRL1OPRM1
Hydrochloric Acid SCHEMBL2270715 0.81 TACR1 (0.45) MAP3K12KDM1ASLC6A4BDKRB1SLC6A3
SCHEMBL625294 0.80 ICMT (0.44) KDM1ASLC6A4BDKRB1SLC6A3SLC6A2
SCHEMBL14041008 0.80 KMT2A (0.61) KDM1AKMT2AOPRM1
SCHEMBL14894531 0.80 KDM1A (0.42) KDM1ASLC6A4BDKRB1SLC6A3SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9187437-B2 Substituted oxadiazole compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2015-11-17 US disclosed
US-9187437-B2 Substituted oxadiazole compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2015-11-17 US disclosed
US-9187437-B2 Substituted oxadiazole compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2015-11-17 US disclosed
EP-2595969-B1 Substituted 3-phenyl-1,2,4-oxadiazole compounds BRISTOL MYERS SQUIBB CO (US) 2015-04-22 EP disclosed
EP-2595969-B1 Substituted 3-phenyl-1,2,4-oxadiazole compounds BRISTOL MYERS SQUIBB CO (US) 2015-04-22 EP disclosed
US-8822510-B2 Substituted 3-phenyl-1,2,4-Oxadiazole compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-02 US disclosed
US-8822510-B2 Substituted 3-phenyl-1,2,4-Oxadiazole compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-02 US disclosed
US-8822510-B2 Substituted 3-phenyl-1,2,4-Oxadiazole compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-02 US disclosed
EP-2619190-A1 SUBSTITUTED OXADIAZOLE COMPOUNDS AND THEIR USE AS S1P1 AGONISTS Bristol-Myers Squibb Company (US) 2013-07-31 EP disclosed
US-20130190361-A1 SUBSTITUTED OXADIAZOLE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2013-07-25 US disclosed
WO-2012040532-A1 SUBSTITUTED OXADIAZOLE COMPOUNDS AND THEIR USE AS S1P1 AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-29 WO disclosed
US-20120053165-A1 Novel Phenyl Imidazoles and Phenyl Triazoles As Gamma-Secretase Modulators PFIZER INC. (US) 2012-03-01 US disclosed
WO-2012012477-A1 SUBSTITUTED 3-PHENYL-1,2,4-OXADIAZOLE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-01-26 WO disclosed
WO-2012012477-A1 SUBSTITUTED 3-PHENYL-1,2,4-OXADIAZOLE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-01-26 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 (4 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 MAP3K12 2824/4885KDM1A 475/4885SLC6A4 4113/4885
US-20090093483-A1 Naphthalenone compounds exhibiting prolyl hydroxylase inhibitory activity, compositions, and uses thereof EGLN2, EGLN3, HIF1AN MAP3K12 2824/4885KDM1A 475/4885SLC6A4 4113/4885
US-20120053165-A1 Novel Phenyl Imidazoles and Phenyl Triazoles As Gamma-Secretase Modulators BACE1, BACE2, PSEN1 MAP3K12 1952/4885KDM1A 1808/4885SLC6A4 3299/4885
US-20130190361-A1 SUBSTITUTED OXADIAZOLE COMPOUNDS S1PR1, S1PR3, S1PR2 MAP3K12 2776/4885KDM1A 1980/4885SLC6A4 2567/4885

“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.