SCHEMBL3890404

SCHEMBL3890404

CCC(Oc1ccccc1O)N1CCC(O)CC1c1ccc(Oc2ccc(F)cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPK14 Q16539 1/20 0.34
S1PR2 O95136 1/20 0.33
MAOA P21397 4/20 0.32
MAOB P27338 4/20 0.32
KDM1A O60341 1/20 0.32
PARP10 Q53GL7 1/20 0.31
SCN3A Q9NY46 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
TRPC6 Q9Y210 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL3888748 0.94 NPC1 (0.36) MAPK14MAOAMAOBKDM1ANPC1
SCHEMBL3892883 0.85 PAX8 (0.36) MAOAMAOBKDM1A
SCHEMBL6163067 0.72 MMP3 (0.44) PARP10
SCHEMBL3892468 0.72 MAOB (0.36) MEN1KMT2AMAOAMAOBSCN3A
SCHEMBL3893163 0.70 GBA1 (0.43) SCN9AMAOAMAOBKDM1ANPC1
SCHEMBL8220687 0.69 SLC18A3 (0.39)
SCHEMBL3890390 0.68 SLC18A3 (0.45) SCN9AMEN1KMT2AMAOAMAOB
SCHEMBL3897588 0.66 SCN9A (0.41) SCN9AMEN1KMT2ASCN3AMAPT
SCHEMBL1659389 0.66 SLC18A3 (0.43)
SCHEMBL11399626 0.66 NPC1 (0.48) KDM1ANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7498344-B2 Arylpiperidinol and arylpiperidine derivatives and pharmaceuticals containing the same ASUBIO PHARMA CO., LTD. (JP) 2009-03-03 US disclosed
EP-0867183-B1 ARYLPIPERIDINOL AND ARYLPIPERIDINE DERIVATIVES AND DRUGS CONTAINING THE SAME DAIICHI SUNTORY PHARMA CO LTD (JP) 2004-10-06 EP disclosed
US-6706734-B2 ANTIISCHEMIC AGENTS; ANTICONVULSANTS; HEADACHES DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2004-03-16 US disclosed
US-20030130312-A1 Arylpiperidinol and arylpiperidine derivatives and pharmaceuticals containing the same ASUBIO PHARMA CO., LTD. (JP) 2003-07-10 US disclosed
US-6455549-B1 ANTIEPILEPTIC, ANTIISCHEMIC, AND ANTIMIGRAINE AGENTS; CALCIUM OVELOAD SUPPRESSANTS SUNTORY LIMITED (JP) 2002-09-24 US disclosed
EP-0867183-A1 ARYLPIPERIDINOL AND ARYLPIPERIDINE DERIVATIVES AND DRUGS CONTAINING THE SAME SUNTORY LIMITED (JP) 1998-09-30 EP 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 (1 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-20030130312-A1 Arylpiperidinol and arylpiperidine derivatives and pharmaceuticals containing the same KCNH1, KCNH2, NPY1R SCN9A 117/4885MEN1 902/4885KMT2A 879/4885

“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.