SCHEMBL3017945

SCHEMBL3017945

O=C(O)C1CCC(N2CCN(Cc3ccccc3)CC2)CC1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
ACHE P22303 1/20 0.55
TRPV6 Q9H1D0 3/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
KDM4E B2RXH2 2/20 0.54
ALDH1A1 P00352 2/20 0.54
HTR2A P28223 1/20 0.54
HTR2C P28335 1/20 0.54
HTR2B P41595 1/20 0.54
SIGMAR1 Q99720 1/20 0.53
S1PR1 P21453 1/20 0.52
S1PR5 Q9H228 1/20 0.52
TSHR P16473 1/20 0.52

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
SCHEMBL4797625 0.87 SIGMAR1 (0.69) RECQLSMN1; SMN2ACHETRPV6SIGMAR1
SCHEMBL1519223 0.84 MEN1 (0.69) ACHEMEN1KMT2ASIGMAR1S1PR1
SCHEMBL15088874 0.83 ALDH1A1 (0.53) RECQLSMN1; SMN2ACHEMEN1KMT2A
SCHEMBL13497283 0.83 ALDH1A1 (0.53) RECQLSMN1; SMN2ACHEMEN1KMT2A
SCHEMBL13497287 0.83 ALDH1A1 (0.53) RECQLSMN1; SMN2ACHEMEN1KMT2A
SCHEMBL13497334 0.83 ALDH1A1 (0.53) RECQLSMN1; SMN2ACHEMEN1KMT2A
SCHEMBL15088844 0.83 ALDH1A1 (0.53) RECQLSMN1; SMN2ACHEMEN1KMT2A
SCHEMBL13497285 0.83 ALDH1A1 (0.53) RECQLSMN1; SMN2ACHEMEN1KMT2A
SCHEMBL7474570 0.83 TRPV6 (0.58) RECQLSMN1; SMN2ACHETRPV6ALDH1A1
SCHEMBL22834418 0.83 TRPV6 (0.58) RECQLSMN1; SMN2ACHETRPV6ALDH1A1

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 4715/4885SMN1; SMN2 4766/4885ACHE 4589/4885

“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.