SCHEMBL16823903

SCHEMBL16823903

CC(C)(C)OC(=O)N1CCC(N2CCCC(C(=O)NN)C2)CC1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.48
EPHX1 P07099 1/20 0.46
PTPN2 P17706 1/20 0.45
PTPN1 P18031 1/20 0.45
PTPN6 P29350 1/20 0.45
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
PARP1 P09874 1/20 0.44
RECQL P46063 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ABL1 P00519 1/20 0.42
RIN1 Q13671 1/20 0.42
STS P08842 4/20 0.41
PKM P14618 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL9407976 0.87 HPGD (0.52) HPGDEPHX1PTPN2PTPN1PTPN6
SCHEMBL5960555 0.85 MEN1 (0.59) HPGDEPHX1PTPN2PTPN1PTPN6
SCHEMBL13401184 0.85 MEN1 (0.59) HPGDEPHX1PTPN2PTPN1PTPN6
SCHEMBL2730887 0.85 MEN1 (0.59) HPGDEPHX1PTPN2PTPN1PTPN6
SCHEMBL13575410 0.85 HPGD (0.50) HPGDEPHX1PTPN2PTPN1PTPN6
SCHEMBL315026 0.84 HPGD (0.60) HPGDEPHX1PTPN2PTPN1PTPN6
SCHEMBL316087 0.83 HPGD (0.56) HPGDEPHX1PTPN2PTPN1PTPN6
SCHEMBL15746875 0.83 HPGD (0.56) HPGDEPHX1PTPN2PTPN1PTPN6
SCHEMBL14743631 0.83 HPGD (0.56) HPGDEPHX1PTPN2PTPN1PTPN6
SCHEMBL21995597 0.82 HPGD (0.56) HPGDEPHX1PTPN2PTPN1PTPN6

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-20160318866-A1 SUBSTITUTED BIPIPERIDINYL DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-11-03 US disclosed
US-20160318866-A1 SUBSTITUTED BIPIPERIDINYL DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-11-03 US disclosed
US-20160318866-A1 SUBSTITUTED BIPIPERIDINYL DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-11-03 US disclosed
EP-3083594-A1 SUBSTITUTED BIPIPERIDINYL DERIVATIVES AS ADRENORECEPTOR ALPHA 2C ANTAGONISTS Bayer Pharma Aktiengesellschaft (DE) 2016-10-26 EP disclosed
WO-2015091415-A1 SUBSTITUTED BIPIPERIDINYL DERIVATIVES AS ADRENORECEPTOR ALPHA 2C ANTAGONISTS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-06-25 WO disclosed
WO-2015091415-A1 SUBSTITUTED BIPIPERIDINYL DERIVATIVES AS ADRENORECEPTOR ALPHA 2C ANTAGONISTS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-06-25 WO 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-20160318866-A1 SUBSTITUTED BIPIPERIDINYL DERIVATIVES TNNI3, TNNC1, FABP3 HPGD 2183/4885EPHX1 2310/4885PTPN2 1860/4885

“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.