SCHEMBL8318044

SCHEMBL8318044

CCN(C1CCN(C)CC1)S(C)(=O)=O

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.43
HTR2A P28223 11/20 0.42
HTR2C P28335 11/20 0.42
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
DPP4 P27487 1/20 0.36
DPP9 Q86TI2 1/20 0.36
DPP7 Q9UHL4 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
SCHEMBL8318217 0.91 SLC6A2 (0.51) SLC6A2HTR2AHTR2CMEN1KMT2A
SCHEMBL8318258 0.91 SLC6A2 (0.51) SLC6A2HTR2AHTR2CMEN1KMT2A
SCHEMBL2743272 0.85 HTR2A (0.40) SLC6A2HTR2AHTR2CMEN1KMT2A
SCHEMBL18611348 0.83 DPP4 (0.44) SLC6A2MEN1KMT2ASMN1; SMN2DPP4
SCHEMBL18925167 0.83 MEN1 (0.38) SLC6A2MEN1KMT2ASMN1; SMN2DPP4
SCHEMBL12890716 0.80 DPP4 (0.37) SLC6A2MEN1KMT2ASMN1; SMN2DPP4
SCHEMBL15867018 0.79 MEN1 (0.45) MEN1KMT2ASMN1; SMN2DPP4DPP9
SCHEMBL19425745 0.78 MEN1 (0.48) MEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL295502 0.74 SLC6A2 (0.49) SLC6A2MEN1KMT2ASMN1; SMN2DPP4
SCHEMBL799397 0.74 HTR2A (0.54) HTR2AHTR2CMEN1KMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170362249-A1 NEW CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF ANKURA TRUST COMPANY, LLC, AS ADMINISTRATIVE AND COLLATERAL AGENT 2017-12-21 US disclosed
US-9670222-B2 CCR2 receptor antagonists and uses thereof CENTREXION THERAPEUTICS CORPORATION (US) 2017-06-06 US disclosed
US-20140235661-A1 NEW CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-08-21 US disclosed
US-8404708-B2 Dual NK1/NK3 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2013-03-26 US disclosed
US-8404708-B2 Dual NK1/NK3 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2013-03-26 US disclosed
US-20110178055-A1 DUAL NK1/NK3 RECEPTOR ANTAGONISTS HOFFMANN TORSTEN 2011-07-21 US disclosed
US-20110178055-A1 DUAL NK1/NK3 RECEPTOR ANTAGONISTS HOFFMANN TORSTEN 2011-07-21 US disclosed
US-7939533-B2 Dual NK1/NK3 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2011-05-10 US disclosed
US-7939533-B2 Dual NK1/NK3 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2011-05-10 US disclosed
US-20090137806-A1 DUAL NK1/NK3 RECEPTOR ANTAGONISTS HOFFMANN TORSTEN 2009-05-28 US disclosed
US-20090137806-A1 DUAL NK1/NK3 RECEPTOR ANTAGONISTS HOFFMANN TORSTEN 2009-05-28 US disclosed
EP-1643998-B1 DUAL NK1/NK3 ANTAGONISTS FOR TREATING SCHIZOPHRENIA HOFFMANN LA ROCHE (CH) 2007-08-29 EP disclosed
WO-2005002577-A1 DUAL NK1/NK3 ANTAGONISTS FOR TREATING SCHIZOPHRENIA F. HOFFMANN-LA ROCHE AG (CH) 2005-01-13 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 (4 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-20110178055-A1 DUAL NK1/NK3 RECEPTOR ANTAGONISTS TACR2, TAC3, TACR1 SLC6A2 181/4885HTR2A 882/4885HTR2C 671/4885
US-20140235661-A1 NEW CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF CCR2, CCRL2, CCR1 SLC6A2 3321/4885HTR2A 679/4885HTR2C 595/4885
US-20170362249-A1 NEW CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF CCR2, CCRL2, CCR1 SLC6A2 3321/4885HTR2A 679/4885HTR2C 595/4885
US-20090137806-A1 DUAL NK1/NK3 RECEPTOR ANTAGONISTS TACR2, TAC3, TACR1 SLC6A2 181/4885HTR2A 882/4885HTR2C 671/4885

“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.