SCHEMBL3020153

SCHEMBL3020153

CC(C)(C)OC(=O)N1CCC(C(=O)NCCCN2CCOCC2)CC1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.58
ALDH1A1 P00352 6/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
HPGD P15428 1/20 0.53
CYP2C19 P33261 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.51
USP2 O75604 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
TSHR P16473 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48
GLA P06280 1/20 0.48
MAPK1 P28482 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
THRB P10828 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
SCHEMBL15352207 0.93 RECQL (0.61) RECQLALDH1A1CYP2C9SMN1; SMN2USP2
SCHEMBL1440590 0.81 GAA (0.53) RECQLCYP3A4HPGDKMT2ATSHR
SCHEMBL19010583 0.81 HPGD (0.59) RECQLALDH1A1HPGDSMN1; SMN2TSHR
SCHEMBL8892846 0.81 RECQL (0.56) RECQLALDH1A1SMN1; SMN2USP2THRB
SCHEMBL19840511 0.80 HPGD (0.51) RECQLALDH1A1HPGDMEN1KMT2A
SCHEMBL15352401 0.80 SMN1; SMN2 (0.66) RECQLSMN1; SMN2USP2TSHRLMNA
SCHEMBL19840507 0.79 TDP1 (0.52) RECQLALDH1A1HPGDMEN1KMT2A
SCHEMBL20542744 0.79 NAAA (0.57) RECQLALDH1A1HPGDMEN1KMT2A
SCHEMBL19840496 0.79 HDAC8 (0.51) RECQLALDH1A1HPGDMEN1KMT2A
SCHEMBL20142566 0.79 HPGD (0.50) RECQLALDH1A1HPGDMEN1KMT2A

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
EP-2155689-B1 CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF BOEHRINGER INGELHEIM INT (DE) 2015-07-08 EP disclosed
EP-2155689-B1 CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF BOEHRINGER INGELHEIM INT (DE) 2015-07-08 EP disclosed
US-8653262-B2 CCR2 receptor antagonists and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-18 US disclosed
US-8653262-B2 CCR2 receptor antagonists and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-18 US disclosed
US-8653262-B2 CCR2 receptor antagonists and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-18 US disclosed
US-20100204209-A1 CCR2 Receptor Antagonists and Uses Thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-12 US disclosed
US-20100204209-A1 CCR2 Receptor Antagonists and Uses Thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-12 US disclosed
US-20100204209-A1 CCR2 Receptor Antagonists and Uses Thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-12 US disclosed
EP-2155689-A2 CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF Boehringer Ingelheim International GmbH (DE) 2010-02-24 EP disclosed
WO-2008145681-A2 CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-12-04 WO disclosed
WO-2008145681-A2 CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-12-04 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 (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-20100204209-A1 CCR2 Receptor Antagonists and Uses Thereof CCR2, CCRL2, CCR1 RECQL 4715/4885ALDH1A1 1767/4885CYP3A4 2139/4885

“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.