SCHEMBL5166996

SCHEMBL5166996

N#CC(I)c1ccc2ccccc2c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
UGT2B7 P16662 1/20 0.47
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ATM Q13315 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
SLC6A2 P23975 4/20 0.38
SLC6A4 P31645 4/20 0.38
SLC6A3 Q01959 4/20 0.38
KCNH2 Q12809 3/20 0.38
CYP2D6 P10635 3/20 0.38
AOC3 Q16853 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP1A2 P05177 2/20 0.38
TSHR P16473 1/20 0.38
HIF1A Q16665 1/20 0.38
MMP9 P14780 1/20 0.36
CYP2A6 P11509 2/20 0.35

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
SCHEMBL11323036 0.79 UGT2B7 (0.50) UGT2B7MEN1KMT2AATMCA1
SCHEMBL19684213 0.76 UGT2B7 (0.56) UGT2B7MEN1KMT2AATMCA1
SCHEMBL3041531 0.76 TSHR (0.57) UGT2B7MEN1KMT2AATMSLC6A2
SCHEMBL7872332 0.76 UGT2B7 (0.47) UGT2B7MEN1KMT2AATMCA1
SCHEMBL27536762 0.76 TSHR (0.57) UGT2B7MEN1KMT2AATMSLC6A2
SCHEMBL10928088 0.76 TRPA1 (0.57) UGT2B7MEN1KMT2AATMCA1
SCHEMBL10924402 0.76 UGT2B7 (0.47) UGT2B7MEN1KMT2AATMCA1
SCHEMBL10399050 0.76 UGT2B7 (0.57) UGT2B7MEN1KMT2AATMCA1
SCHEMBL17455440 0.76 UGT2B7 (0.57) UGT2B7MEN1KMT2AATMCA1
SCHEMBL28889063 0.74 ALDH1A1 (0.46) UGT2B7CA1CA2SLC6A2SLC6A4

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
EP-1581495-B1 4-aryl-4-(naphth-1-ylmethylamino)methyl-piperidine compounds and their use ASTRAZENECA AB (SE) 2007-04-18 EP disclosed
US-20060058352-A1 Piperidine amine compounds and their use ASTRAZENECA AB (SE) 2006-03-16 US disclosed
US-20050245572-A1 Naphthyl ether compounds and their use OLINK AB (SE) 2005-11-03 US disclosed
EP-1581495-A1 PIPERIDINE AMINE COMPOUNDS AND THEIR USE AstraZeneca AB (SE) 2005-10-05 EP disclosed
EP-1546101-A1 NAPHTHYL ETHER COMPOUNDS AND THEIR USE AstraZeneca AB (SE) 2005-06-29 EP disclosed
WO-2004056771-A1 PIPERIDINE AMINE COMPOUNDS AND THEIR USE ASTRAZENECA AB (SE) 2004-07-08 WO disclosed
WO-2004022539-A1 NAPHTHYL ETHER COMPOUNDS AND THEIR USE ASTRAZENECA AB (SE) 2004-03-18 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 (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-20060058352-A1 Piperidine amine compounds and their use HRH3, H1-5, H1-0 UGT2B7 324/4885MEN1 2413/4885KMT2A 245/4885
US-20050245572-A1 Naphthyl ether compounds and their use NR4A1, NPM1, H1-4 UGT2B7 139/4885MEN1 1083/4885KMT2A 1575/4885

“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.