SCHEMBL3377905

SCHEMBL3377905

O=C(c1cccc(NCc2ccc(Cl)cc2)c1)N1CC[C@@H](F)C1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
HPGD P15428 1/20 0.46
EPHX2 P34913 1/20 0.46
MGLL Q99685 4/20 0.46
DPP7 Q9UHL4 2/20 0.46
NTRK1 P04629 2/20 0.46
DPP4 P27487 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
RHOA P61586 2/20 0.45

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
SCHEMBL3378969 0.85 DPP7 (0.52) PPARAKMT2ADPP7NTRK1RHOA
SCHEMBL3377899 0.85 MEN1 (0.53) MEN1KMT2AHPGDMGLLDPP7
SCHEMBL3379922 0.84 GRM5 (0.60) PPARAHPGDDPP7NTRK1RHOA
SCHEMBL3378131 0.84 PPARA (0.53) PPARAMEN1KMT2AEPHX2MGLL
SCHEMBL3376258 0.84 PPARA (0.55) PPARAMEN1KMT2ANTRK1SMN1; SMN2
SCHEMBL2188996 0.74 PPARA (0.79) PPARAMEN1KMT2A
SCHEMBL3379832 0.74 PARP1 (0.53) MEN1KMT2ASMN1; SMN2
SCHEMBL3236009 0.74 GRM5 (0.64) KMT2AHPGDMGLLDPP7SMN1; SMN2
SCHEMBL20394960 0.72 SLC6A7 (0.55) HPGD
SCHEMBL3415407 0.71 HSD11B1 (0.45) PPARAMEN1KMT2ANTRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2342177-B1 NOVEL POTASSIUM CHANNEL BLOCKERS JAPAN TOBACCO INC (JP) 2017-02-15 EP claimed
US-9073834-B2 Potassium channel blockers XENTION LIMITED (GB) 2015-07-07 US claimed
US-20140221337-A1 Potassium Channel Blockers XENTION LIMITED (GB) 2014-08-07 US claimed
US-20100087428-A1 Novel Potassium Channel Blockers XENTION LIMITED (GB) 2010-04-08 US claimed
EP-2342177-B1 NOVEL POTASSIUM CHANNEL BLOCKERS JAPAN TOBACCO INC (JP) 2017-02-15 EP disclosed
US-9447033-B2 Potassium channel blockers JAPAN TOBACCO INC. (JP) 2016-09-20 US disclosed
US-20150259282-A1 Potassium Channel Blockers XENTION LIMITED (GB) 2015-09-17 US disclosed
US-9073834-B2 Potassium channel blockers XENTION LIMITED (GB) 2015-07-07 US disclosed
US-20140221337-A1 Potassium Channel Blockers XENTION LIMITED (GB) 2014-08-07 US disclosed
US-8673901-B2 Potassium channel blockers XENTION LIMITED (GB) 2014-03-18 US disclosed
US-20100087428-A1 Novel Potassium Channel Blockers XENTION LIMITED (GB) 2010-04-08 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 (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-20140221337-A1 Potassium Channel Blockers KCNJ2, KCNH2, KCNB1 PPARA 4205/4885MEN1 608/4885KMT2A 386/4885
US-20100087428-A1 Novel Potassium Channel Blockers HCN4, SCN2B, KCNH2 PPARA 1367/4885MEN1 2747/4885KMT2A 1511/4885
US-20150259282-A1 Potassium Channel Blockers KCNJ2, KCNH2, KCNB1 PPARA 4205/4885MEN1 608/4885KMT2A 386/4885

“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.