SCHEMBL3977265

SCHEMBL3977265

NCC1CCN(S(=O)(=O)c2cccc3ccccc23)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.64
KMT2A Q03164 1/20 0.64
HDAC3 O15379 1/20 0.60
HDAC4 P56524 1/20 0.60
HDAC1 Q13547 1/20 0.60
HDAC7 Q8WUI4 1/20 0.60
HDAC2 Q92769 1/20 0.60
HDAC10 Q969S8 1/20 0.60
HDAC11 Q96DB2 1/20 0.60
HDAC8 Q9BY41 1/20 0.60
HDAC6 Q9UBN7 1/20 0.60
HDAC9 Q9UKV0 1/20 0.60
HDAC5 Q9UQL6 1/20 0.60
NPY5R Q15761 2/20 0.59
CNR1 P21554 1/20 0.55
EPHX2 P34913 1/20 0.55
TSHR P16473 1/20 0.55
HTR6 P50406 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.51
MAPT P10636 2/20 0.51

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
SCHEMBL13599035 0.86 MEN1 (0.64) MEN1KMT2AHDAC3HDAC4HDAC1
SCHEMBL31212424 0.83 MEN1 (0.61) MEN1KMT2AHDAC3HDAC4HDAC1
SCHEMBL8564336 0.83 MEN1 (0.83) MEN1KMT2AHDAC3HDAC4HDAC1
SCHEMBL14919477 0.82 MEN1 (0.68) MEN1KMT2AHDAC3HDAC4HDAC1
SCHEMBL13598934 0.81 HDAC3 (0.68) MEN1KMT2AHDAC3HDAC4HDAC1
SCHEMBL3974715 0.81 EPHX2 (0.65) MEN1KMT2AHDAC3HDAC4HDAC1
SCHEMBL31212414 0.80 MEN1 (0.64) MEN1KMT2AHDAC3HDAC4HDAC1
SCHEMBL6795564 0.80 MEN1 (0.60) MEN1KMT2AHDAC3HDAC4HDAC1
SCHEMBL7216688 0.80 KMT2A (0.97) MEN1KMT2ACNR1EPHX2TSHR
SCHEMBL3059602 0.79 HTR7 (0.55) MEN1KMT2AHDAC3HDAC4HDAC1

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
WO-2009054543-A1 AMPA RECEPTOR ANTAGONISTS AND ZONISAMIDE FOR PARKINSON'S DISEASE AND MOVEMENT DISORDERS EISAI R & D MANAGEMENT CO., LTD. (JP) 2009-04-30 WO disclosed
WO-2009054544-A1 AMPA RECEPTOR ANTAGONISTS FOR PARKINSON'S DISEASE AND MOVEMENT DISORDERS EISAI R & D MANAGEMENT CO., LTD. (JP) 2009-04-30 WO disclosed
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 MEN1 3281/4885KMT2A 3040/4885HDAC3 1014/4885

“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.