SCHEMBL4513143

SCHEMBL4513143

CS(=O)(=O)Nc1ccccc1N1CCN(Cc2ccccc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
DRD4 P21917 5/20 0.51
DRD2 P14416 4/20 0.51
DRD3 P35462 3/20 0.51
POLB P06746 1/20 0.50
TSHR P16473 1/20 0.50
MAPK10 P53779 1/20 0.50
SIGMAR1 Q99720 1/20 0.49
HSP90AB1 P08238 1/20 0.48
HTR6 P50406 1/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
HTR7 P34969 1/20 0.48
TACR1 P25103 1/20 0.48
MCOLN2 Q8IZK6 1/20 0.47

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
SCHEMBL14355835 0.80 TSHR (0.52) MAPTDRD2DRD3POLBTSHR
SCHEMBL8781020 0.78 DRD4 (0.60) MAPTL3MBTL1DRD4DRD2POLB
SCHEMBL7540788 0.78 ALDH1A1 (0.55) MAPTNPSR1DRD4DRD2DRD3
SCHEMBL23043705 0.78 MCOLN3 (0.61) MAPTNPSR1L3MBTL1POLBTSHR
SCHEMBL4524859 0.78 NPY5R (0.52) NPSR1POLBTSHRMAPK10HSP90AB1
SCHEMBL6864941 0.76 DRD4 (0.81) DRD4DRD2DRD3SIGMAR1HTR7
SCHEMBL2884249 0.76 ADRB1 (0.53) MAPTDRD2DRD3TSHRSIGMAR1
Hydrochloric Acid SCHEMBL4519396 0.75 ALDH1A1 (0.47) DRD4DRD2DRD3TSHRMAPK10
SCHEMBL12000243 0.75 DRD4 (0.64) MAPTNPSR1TDP1L3MBTL1DRD4
Hydrochloric Acid SCHEMBL4524195 0.74 ADRB1 (0.51) MAPTDRD2DRD3SIGMAR1HTR6

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 11 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
US-7560460-B2 Substituted piperazines and methods of use AMGEN INC. (US) 2009-07-14 US disclosed
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
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-20070265248-A1 Substituted piperazines and methods of use AMGEN INC. (US) 2007-11-15 US 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
US-5885999-A TREATMENT OR PREVENTION OF PAIN, INFLAMMATION, MIGRAINE, EMESIS AND POSTHERPETIC NEURALGIA MERCK SHARP & DOHME LTD. (GB) 1999-03-23 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 MAPT 3395/4885NPSR1 19/4885TDP1 4591/4885
US-20070265248-A1 Substituted piperazines and methods of use MC5R, MC4R, MC1R MAPT 3395/4885NPSR1 19/4885TDP1 4591/4885

“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.