Sugi Predict

Sugi Predict / Compounds / SCHEMBL2714652

SCHEMBL2714652

SCHEMBL2714652

NC(=O)[C@H]1CC[C@@H](c2ccc(OCc3ccccc3)cc2)N1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 3/20 0.55
▸ NPC1 O15118 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ PARP10 Q53GL7 1/20 0.49
▸ SPHK1 Q9NYA1 2/20 0.47
▸ SPHK2 Q9NRA0 1/20 0.46
▸ FFAR2 O15552 3/20 0.45
▸ NR4A1 P22736 1/20 0.45
▸ NR4A2 P43354 1/20 0.45
▸ NR4A3 Q92570 1/20 0.45
▸ S1PR5 Q9H228 1/20 0.44
▸ MAOA P21397 2/20 0.44
▸ MAOB P27338 2/20 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
SCHEMBL2712695 1.00 KCNH2 (0.55) KCNH2NPC1RAB9APARP10SPHK1
SCHEMBL2713220 1.00 KCNH2 (0.55) KCNH2NPC1RAB9APARP10SPHK1
SCHEMBL2835415 0.90 FFAR2 (0.54) KCNH2RAB9APARP10FFAR2NR4A1
SCHEMBL2832359 0.90 FFAR2 (0.54) KCNH2RAB9APARP10FFAR2NR4A1
SCHEMBL2837206 0.90 FFAR2 (0.54) KCNH2RAB9APARP10FFAR2NR4A1
SCHEMBL2837028 0.87 KCNH2 (0.57) KCNH2NPC1RAB9ASPHK1SPHK2
SCHEMBL841356 0.86 KCNH2 (0.51) KCNH2NPC1RAB9APARP10SPHK1
SCHEMBL840062 0.86 KCNH2 (0.51) KCNH2NPC1RAB9APARP10SPHK1
SCHEMBL310888 0.86 KCNH2 (0.51) KCNH2NPC1RAB9APARP10SPHK1
SCHEMBL2712421 0.85 KCNH2 (0.76) KCNH2PARP10FFAR2MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1934177-B1 PROLINAMIDE DERIVATIVES AS SODIUM CHANNEL MODULATORS GLAXO GROUP LTD (GB) 2012-05-02 — — EP disclosed
US-7855218-B2 (5R)-5-(4-{[(2-fluorophenyl)methyl]oxy}phenyl)-L-prolinamide; depression or a mood disorder ; modulation of use-dependent voltage-gated sodium channels Convergence Pharmaceuticals Limited (GB) 2010-12-21 — — US disclosed
EP-1943216-B1 PROLINAMIDE DERIVATIVES AS SODIUM CHANNEL MODULATORS GLAXO GROUP LTD (GB) 2010-06-30 — — EP disclosed
US-20100105754-A1 5-(4PHENYL)PROLINAMIDE FOR TREATMENT OF EPILEPSY GLAXO GROUP LIMITED (GB) 2010-04-29 — — US disclosed
US-7655693-B2 Compounds GLAXO GROUP LIMITED (GB) 2010-02-02 — — US disclosed
US-20080306122-A1 Novel Compounds Convergence Pharmaceuticals Limited (GB) 2008-12-11 — — US disclosed
US-20080280969-A1 Novel Compounds GLAXO GROUP LIMITED 2008-11-13 — — 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-20080306122-A1 Novel Compounds CYP11B1, CYP11B2, CYP46A1 KCNH2 3313/4885NPC1 10/4885RAB9A 711/4885
US-20080280969-A1 Novel Compounds CYP11B2, CYP46A1, SLC10A1 KCNH2 1998/4885NPC1 6/4885RAB9A 1060/4885
US-20100105754-A1 5-(4PHENYL)PROLINAMIDE FOR TREATMENT OF EPILEPSY SCN5A, SCN1A, SCN7A KCNH2 58/4885NPC1 885/4885RAB9A 1258/4885

“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.