SCHEMBL3893433

SCHEMBL3893433

OC1CCN(CC2CC2c2ccccc2)C(c2ccc(Oc3ccccc3)cc2)C1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.42
DRD2 P14416 4/20 0.41
DRD4 P21917 4/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CFB P00751 1/20 0.40
ALOX5 P09917 1/20 0.38
OPRM1 P35372 5/20 0.37
OPRD1 P41143 5/20 0.37
OPRK1 P41145 5/20 0.37

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
SCHEMBL3890373 0.87 DRD2 (0.42) KDM1ADRD2DRD4CFBOPRM1
SCHEMBL3901486 0.81 NPC1 (0.45) KDM1ANPC1RAB9ACFBOPRM1
SCHEMBL3894098 0.78 NPC1 (0.47) NPC1RAB9ACFB
SCHEMBL3893608 0.76 NPC1 (0.40) DRD2DRD4NPC1RAB9ACFB
SCHEMBL11399626 0.75 NPC1 (0.48) KDM1ANPC1RAB9ACFB
SCHEMBL3893163 0.74 GBA1 (0.43) KDM1ANPC1RAB9ACFBOPRM1
SCHEMBL3890390 0.72 SLC18A3 (0.45) KDM1ADRD2DRD4NPC1RAB9A
SCHEMBL3897588 0.70 SCN9A (0.41) DRD2OPRM1OPRD1OPRK1
SCHEMBL3892596 0.69 DRD2 (0.44) KDM1ADRD2DRD4OPRM1OPRD1
SCHEMBL3893429 0.68 DRD2 (0.49) DRD2DRD4OPRM1

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 KDM1A 477/4885DRD2 2055/4885DRD4 3344/4885
US-20040186138-A1 Arylpiperidinol and arylpiperidine derivatives and pharmaceuticals containing the same KCNH1, KCNH2, NPY1R KDM1A 477/4885DRD2 2055/4885DRD4 3344/4885

“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.