SCHEMBL3894098

SCHEMBL3894098

O=C(CN1CCC(O)CC1c1ccc(Oc2ccccc2)cc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
MEN1 O00255 2/20 0.43
HPGD P15428 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PARP14 Q460N5 2/20 0.41
PARP10 Q53GL7 2/20 0.41
ERCC5 P28715 1/20 0.40
FEN1 P39748 1/20 0.40
CFB P00751 3/20 0.40
MMP3 P08254 1/20 0.39
HTT P42858 1/20 0.39
FFAR1 O14842 1/20 0.39
KDM2B Q8NHM5 3/20 0.38
MMP1 P03956 1/20 0.38

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
SCHEMBL3890390 0.93 SLC18A3 (0.45) NPC1RAB9AMEN1HPGDKMT2A
SCHEMBL3892581 0.86 KDM4E (0.46) NPC1RAB9AMEN1HPGDKMT2A
SCHEMBL3901486 0.81 NPC1 (0.45) NPC1RAB9ACFB
SCHEMBL3894111 0.78 GRIN2B (0.46) MEN1HPGDKMT2AKDM4EALDH1A1
SCHEMBL3893433 0.78 KDM1A (0.42) NPC1RAB9ACFB
SCHEMBL3893608 0.77 NPC1 (0.40) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL11399626 0.76 NPC1 (0.48) NPC1RAB9ACFB
SCHEMBL3893163 0.75 GBA1 (0.43) NPC1RAB9ACFB
SCHEMBL6161142 0.75 SIGMAR1 (0.58) KMT2AALDH1A1PARP14PARP10MMP3
SCHEMBL3899665 0.73 PAX8 (0.42) RAB9AMEN1KMT2AALDH1A1ERCC5

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
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-20040186138-A1 Arylpiperidinol and arylpiperidine derivatives and pharmaceuticals containing the same DAIICHI SUNTORY PHARMA CO., LTD. 2004-09-23 US 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 (2 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 NPC1 844/4885RAB9A 3428/4885MEN1 902/4885
US-20040186138-A1 Arylpiperidinol and arylpiperidine derivatives and pharmaceuticals containing the same KCNH1, KCNH2, NPY1R NPC1 844/4885RAB9A 3428/4885MEN1 902/4885

“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.