SCHEMBL3026317

SCHEMBL3026317

CN(C)C(=O)CC1CCC(N2CCN(Cc3ccccc3)CC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.52
LTA4H P09960 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
RECQL P46063 1/20 0.51
CHRM4 P08173 1/20 0.49
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 3/20 0.48
TRPV6 Q9H1D0 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 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
SCHEMBL31334166 0.80 CHRM4 (0.49) ACHESMN1; SMN2RECQLCHRM4KDM4E
SCHEMBL31334937 0.80 DRD2 (0.54) ACHESMN1; SMN2RECQLKDM4EALDH1A1
SCHEMBL4797625 0.80 SIGMAR1 (0.69) ACHESMN1; SMN2RECQLTRPV6
SCHEMBL3017800 0.79 ACHE (0.55) ACHESMN1; SMN2RECQLCHRM4TRPV6
SCHEMBL3017945 0.78 RECQL (0.56) ACHESMN1; SMN2RECQLKDM4EALDH1A1
SCHEMBL22834418 0.76 TRPV6 (0.58) ACHESMN1; SMN2RECQLALDH1A1TRPV6
SCHEMBL18177889 0.76 ACHE (0.70) ACHESMN1; SMN2RECQLTRPV6
SCHEMBL7474570 0.76 TRPV6 (0.58) ACHESMN1; SMN2RECQLALDH1A1TRPV6
SCHEMBL7899060 0.76 TRPV6 (0.58) ACHESMN1; SMN2RECQLALDH1A1TRPV6
SCHEMBL3007018 0.76 ALDH1A1 (0.67) SMN1; SMN2KDM4EALDH1A1KMT2A

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 ACHE 4589/4885LTA4H 344/4885SMN1; SMN2 4766/4885

“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.