SCHEMBL3974715

SCHEMBL3974715

NC(=O)C1CCN(S(=O)(=O)c2cccc3ccccc23)CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.65
CNR1 P21554 6/20 0.62
ALDH1A1 P00352 3/20 0.62
LMNA P02545 2/20 0.62
NPC1 O15118 1/20 0.62
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
HDAC3 O15379 1/20 0.58
HDAC4 P56524 1/20 0.58
HDAC1 Q13547 1/20 0.58
HDAC7 Q8WUI4 1/20 0.58
HDAC2 Q92769 1/20 0.58
HDAC10 Q969S8 1/20 0.58
HDAC11 Q96DB2 1/20 0.58
HDAC8 Q9BY41 1/20 0.58
HDAC6 Q9UBN7 1/20 0.58
HDAC9 Q9UKV0 1/20 0.58
HDAC5 Q9UQL6 1/20 0.58
NPSR1 Q6W5P4 1/20 0.55
POLB P06746 1/20 0.54

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
SCHEMBL4964697 0.85 CNR1 (0.61) EPHX2CNR1MEN1KMT2A
SCHEMBL2950520 0.83 EPHX2 (0.65) EPHX2CNR1ALDH1A1LMNAMEN1
SCHEMBL7306841 0.83 AKR1C3 (0.62) EPHX2CNR1MEN1KMT2AHDAC3
SCHEMBL20789981 0.81 TSHR (0.62) ALDH1A1LMNANPC1NPSR1POLB
SCHEMBL8564336 0.81 MEN1 (0.83) EPHX2CNR1ALDH1A1LMNAMEN1
SCHEMBL15916787 0.81 NPC1 (0.64) EPHX2ALDH1A1LMNANPC1NPSR1
SCHEMBL3977265 0.81 MEN1 (0.64) EPHX2CNR1MEN1KMT2AHDAC3
SCHEMBL14919477 0.80 MEN1 (0.68) EPHX2CNR1LMNAMEN1KMT2A
SCHEMBL4274699 0.80 CNR1 (0.88) EPHX2CNR1MEN1KMT2A
SCHEMBL2962589 0.80 MEN1 (0.62) EPHX2CNR1MEN1KMT2AHDAC3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7517991-B2 N-sulfonylpiperidine cannabinoid receptor 1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2009-04-14 US disclosed
EP-1814550-A2 N-SULFONYLPIPERIDINE CANNABINOID RECEPTOR 1 ANTAGONISTS Bristol-Myers Squibb Company (US) 2007-08-08 EP disclosed
WO-2006044362-A2 N-SULFONYLPIPERIDINE CANNABINOID RECEPTOR 1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-04-27 WO disclosed
US-20060079556-A1 N-sulfonylpiperidine cannabinoid receptor 1 antagonists BRISTOL-MYERS SQUIBB COMPANY 2006-04-13 US 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-20060079556-A1 N-sulfonylpiperidine cannabinoid receptor 1 antagonists CNR1, CNR2, NPY1R EPHX2 1348/4885CNR1 1/4885ALDH1A1 2355/4885

“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.