SCHEMBL799089

SCHEMBL799089

CN1CCC(CNS(C)(=O)=O)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.46
NCF1 P14598 1/20 0.43
CCR8 P51685 1/20 0.38
ALDH1A1 P00352 1/20 0.38
PKM P14618 1/20 0.38
KDM1A O60341 1/20 0.37
MAOB P27338 1/20 0.37
DPP4 P27487 1/20 0.37
PREP P48147 1/20 0.37
FAP Q12884 1/20 0.37
SMO Q99835 1/20 0.37
ICAM1 P05362 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
NPY5R Q15761 2/20 0.35
ADRA2A P08913 1/20 0.35
ENPP1 P22413 1/20 0.35
JAK2 O60674 3/20 0.34
JAK1 P23458 3/20 0.34
TYK2 P29597 3/20 0.34
JAK3 P52333 3/20 0.34

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
SCHEMBL17780171 0.90 NSD2 (0.42) NSD2NCF1CCR8ALDH1A1PKM
SCHEMBL24009076 0.85 NSD2 (0.44) NSD2NCF1CCR8ALDH1A1PKM
SCHEMBL2841819 0.83
SCHEMBL24000374 0.82 ENPP1 (0.48) NSD2NCF1CCR8ALDH1A1PKM
SCHEMBL19733387 0.82 DPP4 (0.40) NSD2ALDH1A1PKMDPP4PREP
SCHEMBL8422722 0.81 EPHX1 (0.42) ALDH1A1PKMMAOBDPP4PREP
SCHEMBL15451908 0.81 SIRT2 (0.41) NSD2NCF1ALDH1A1KDM1AICAM1
SCHEMBL8235615 0.79 ALDH1A1 (0.36) NSD2ALDH1A1PKMDPP4PREP
SCHEMBL10232790 0.79 XPNPEP1 (0.36) ALDH1A1PKMKDM1ADPP4PREP
SCHEMBL799012 0.79 DPP4 (0.41) NSD2ALDH1A1PKMDPP4PREP

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 15 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-8835440-B2 Cyclic pyrimidin-4-carboxamides as CCR2 receptor antagonists for treatment of inflammation, asthma and COPD BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-16 US disclosed
US-20140235661-A1 NEW CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-08-21 US disclosed
US-8765949-B2 CCR2 receptor antagonists and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-01 US disclosed
US-8765949-B2 CCR2 receptor antagonists and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-01 US disclosed
US-8309546-B2 Morpholinopurine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-11-13 US disclosed
US-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-05-10 US disclosed
US-20120071476-A1 MORPHOLINOPURINE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-03-22 US disclosed
US-20120004252-A1 NEW CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-05 US disclosed
US-8044068-B2 Aminopyrrolidine compound TAISHO PHARMACEUTICAL CO., LTD (JP) 2011-10-25 US disclosed
US-8044068-B2 Aminopyrrolidine compound TAISHO PHARMACEUTICAL CO., LTD (JP) 2011-10-25 US disclosed
WO-2010070032-A1 CYCLIC PYRIMIDIN-4-CARBOXAMIDES AS CCR2 RECEPTOR ANTAGONISTS FOR TREATMENT OF INFLAMMATION, ASTHMA AND COPD BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-06-24 WO disclosed
US-20090291940-A1 AMINOPYRROLIDINE COMPOUND TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-11-26 US disclosed
US-20090291940-A1 AMINOPYRROLIDINE COMPOUND TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-11-26 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 (6 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-20120004252-A1 NEW CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF CCR2, CCRL2, CCR1 NSD2 4495/4885NCF1 716/4885CCR8 12/4885
US-20090291940-A1 AMINOPYRROLIDINE COMPOUND MC4R, MC5R, MC2R NSD2 322/4885NCF1 2364/4885CCR8 2331/4885
US-20140235661-A1 NEW CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF CCR2, CCRL2, CCR1 NSD2 4495/4885NCF1 716/4885CCR8 12/4885
US-20170362249-A1 NEW CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF CCR2, CCRL2, CCR1 NSD2 4495/4885NCF1 716/4885CCR8 12/4885
US-20120071476-A1 MORPHOLINOPURINE DERIVATIVES MTOR, RICTOR, PIK3R1 NSD2 1524/4885NCF1 1614/4885CCR8 2720/4885
US-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MTOR, RICTOR, RPTOR NSD2 2519/4885NCF1 1682/4885CCR8 4329/4885

“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.