SCHEMBL4519997

SCHEMBL4519997

CS(=O)(=O)Nc1ccccc1N1CC2CC1CN2Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.46
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
IDO1 P14902 1/20 0.41
SIGMAR1 Q99720 6/20 0.38
BRD4 O60885 1/20 0.38
NR3C1 P04150 5/20 0.38
PGR P06401 1/20 0.38
NR3C2 P08235 1/20 0.38
AR P10275 1/20 0.38
PKM P14618 1/20 0.37
MAPT P10636 1/20 0.36

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
SCHEMBL5497843 0.84 HDAC1 (0.47) HDAC1JAK2JAK1IDO1SIGMAR1
SCHEMBL5495222 0.79 SIGMAR1 (0.42) HDAC1JAK2JAK1IDO1SIGMAR1
SCHEMBL4506882 0.76 HDAC1 (0.51) HDAC1JAK2JAK1IDO1SIGMAR1
SCHEMBL4512167 0.75 CHRNB2 (0.44)
SCHEMBL5859788 0.75 SIGMAR1 (0.41) HDAC1JAK2JAK1IDO1SIGMAR1
SCHEMBL4513293 0.73 MAPK1 (0.41) HDAC1JAK2JAK1SIGMAR1
SCHEMBL10511009 0.73 GRIN2B (0.56) HDAC1SIGMAR1NR3C2AR
SCHEMBL10510703 0.72 GRIN2B (0.56) SIGMAR1NR3C1NR3C2AR
SCHEMBL8698904 0.72 SIGMAR1 (0.50) SIGMAR1MAPT
SCHEMBL6995832 0.72 SIGMAR1 (0.50) SIGMAR1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7560460-B2 Substituted piperazines and methods of use AMGEN INC. (US) 2009-07-14 US disclosed
EP-1417190-B1 SUBSTITUTED PIPERAZINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEN INC (US) 2008-10-22 EP disclosed
US-20070265248-A1 Substituted piperazines and methods of use AMGEN INC. (US) 2007-11-15 US disclosed
US-7115607-B2 Substituted piperazinyl amides and methods of use AMGEN INC. (US) 2006-10-03 US disclosed
US-20030220324-A1 Substituted piperazines and methods of use AMGEN INC. 2003-11-27 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 (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-20030220324-A1 Substituted piperazines and methods of use MC5R, MC4R, MC1R HDAC1 419/4885JAK2 118/4885JAK1 1349/4885
US-20070265248-A1 Substituted piperazines and methods of use MC5R, MC4R, MC1R HDAC1 419/4885JAK2 118/4885JAK1 1349/4885

“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.