SCHEMBL3021250

SCHEMBL3021250

O=C(NCCCN1CCOCC1)C1CCNCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.56
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
ALDH1A1 P00352 3/20 0.55
CYP2C19 P33261 2/20 0.55
HPGD P15428 2/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C9 P11712 1/20 0.55
GAA P10253 2/20 0.54
EPHX1 P07099 1/20 0.53
KDM4E B2RXH2 1/20 0.52
GNAI3 P08754 1/20 0.52
GNAO1 P09471 1/20 0.52
GNAI1 P63096 1/20 0.52
TSHR P16473 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2D6 P10635 1/20 0.52
USP2 O75604 1/20 0.52
DUSP3 P51452 1/20 0.51

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
SCHEMBL2148732 0.92 LMNA (0.53) LMNAMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL2148739 0.92 LMNA (0.53) LMNAMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL15362709 0.92 ALDH1A1 (0.61) MEN1KMT2ASMN1; SMN2ALDH1A1CYP2C9
Hydrochloric Acid SCHEMBL2146368 0.91 LMNA (0.52) LMNAMEN1KMT2ASMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL2146359 0.91 LMNA (0.52) LMNAMEN1KMT2ASMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL15352721 0.90 ALDH1A1 (0.60) MEN1KMT2ASMN1; SMN2ALDH1A1CYP2C9
SCHEMBL26844232 0.86 SMN1; SMN2 (0.67) LMNAMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL13745503 0.86 SMN1; SMN2 (0.64) LMNAMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL2146803 0.83 ALDH1A1 (0.55) MEN1KMT2ASMN1; SMN2ALDH1A1CYP2C9
SCHEMBL2146806 0.83 ALDH1A1 (0.55) MEN1KMT2ASMN1; SMN2ALDH1A1CYP2C9

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 LMNA 4656/4885MEN1 4873/4885KMT2A 2280/4885

“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.