SCHEMBL3900451

SCHEMBL3900451

OC1CCN(c2ccc(-c3ccccc3)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.51
FFAR4 Q5NUL3 1/20 0.49
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
SLC6A7 Q99884 2/20 0.47
POLB P06746 2/20 0.47
MAPK1 P28482 2/20 0.46
ALDH1A1 P00352 2/20 0.46
USP2 O75604 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.46
ALOX12 P18054 1/20 0.46
CYP2C19 P33261 1/20 0.46
HSD17B10 Q99714 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
MBTD1 Q05BQ5 1/20 0.46
L3MBTL3 Q96JM7 1/20 0.46
SLC18A3 Q16572 1/20 0.45
AURKA O14965 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
SCHEMBL3537362 0.88 MBTD1 (0.57) HRH3MEN1KMT2APOLBMAPK1
Hydrochloric Acid SCHEMBL1920820 0.86 MBTD1 (0.55) HRH3MEN1KMT2APOLBMAPK1
Hydrochloric Acid SCHEMBL28134647 0.86 MBTD1 (0.55) HRH3MEN1KMT2APOLBMAPK1
SCHEMBL28940844 0.86 MBTD1 (0.55) HRH3MEN1KMT2APOLBMAPK1
SCHEMBL3038518 0.82 ESR2 (0.49) MEN1KMT2ASLC6A7POLBMAPK1
SCHEMBL5798722 0.80 NOTUM (0.65) FFAR4MEN1KMT2ASLC6A7POLB
SCHEMBL3891049 0.80 LTA4H (0.60) HRH3MEN1KMT2AALDH1A1HSD17B10
SCHEMBL27478933 0.80 FFAR4 (0.43) FFAR4MEN1KMT2APOLBMAPK1
Fluoride SCHEMBL27569822 0.79 MEN1 (0.56) MEN1KMT2ASLC6A7POLBMAPK1
Biphenyl SCHEMBL28893342 0.78 ALDH1A1 (0.56) MEN1KMT2AMAPK1ALDH1A1CYP1A2

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 HRH3 68/4885FFAR4 911/4885MEN1 902/4885
US-20040186138-A1 Arylpiperidinol and arylpiperidine derivatives and pharmaceuticals containing the same KCNH1, KCNH2, NPY1R HRH3 68/4885FFAR4 911/4885MEN1 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.