SCHEMBL3379922

SCHEMBL3379922

CC1CCCN(C(=O)c2cccc(NCc3ccc(Cl)cc3)c2)C1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 5/20 0.60
NTRK1 P04629 2/20 0.57
DPP7 Q9UHL4 1/20 0.52
ALDH1A1 P00352 1/20 0.52
GAA P10253 1/20 0.52
HPGD P15428 1/20 0.52
RHOA P61586 5/20 0.52
POLB P06746 1/20 0.50
PPARA Q07869 1/20 0.49
SIRT5 Q9NXA8 1/20 0.48
RECQL P46063 1/20 0.47

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 0.89 DPP7 (0.52) GRM5NTRK1DPP7ALDH1A1RHOA
SCHEMBL3237608 0.87 GRM5 (0.75) GRM5DPP7ALDH1A1GAAHPGD
SCHEMBL3376258 0.86 PPARA (0.55) NTRK1ALDH1A1PPARA
SCHEMBL3379917 0.86 GRM5 (0.57) GRM5NTRK1DPP7ALDH1A1GAA
SCHEMBL3377905 0.84 PPARA (0.49) NTRK1DPP7HPGDRHOAPPARA
SCHEMBL3378131 0.82 PPARA (0.53) PPARA
SCHEMBL325138 0.81 NTRK1 (0.44) GRM5NTRK1DPP7ALDH1A1GAA
SCHEMBL3236009 0.81 GRM5 (0.64) GRM5DPP7ALDH1A1GAAHPGD
SCHEMBL3237604 0.79 GRM5 (0.68) GRM5DPP7ALDH1A1GAAHPGD
SCHEMBL20394973 0.78 NAMPT (0.61) GRM5ALDH1A1GAAHPGDRECQL

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 GRM5 841/4885NTRK1 3278/4885DPP7 3180/4885
US-20100087428-A1 Novel Potassium Channel Blockers HCN4, SCN2B, KCNH2 GRM5 297/4885NTRK1 363/4885DPP7 3181/4885
US-20150259282-A1 Potassium Channel Blockers KCNJ2, KCNH2, KCNB1 GRM5 841/4885NTRK1 3278/4885DPP7 3180/4885

“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.