SCHEMBL3733677

SCHEMBL3733677

COC1CCN(c2ncc(-c3ccccc3N3CCN(C(=O)Cn4nc(C)cc4C)CC3)cn2)CC1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 6/20 0.67
KCNH2 Q12809 2/20 0.67
ALDH1A1 P00352 1/20 0.40
PDE4B Q07343 1/20 0.39
LMNA P02545 2/20 0.39
GAA P10253 1/20 0.39
POLB P06746 1/20 0.38
GRIN2B Q13224 1/20 0.38
TP53 P04637 2/20 0.38
THRB P10828 1/20 0.38
GRM5 P41594 1/20 0.38

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
SCHEMBL3735474 0.91 CXCR3 (0.70) CXCR3KCNH2ALDH1A1LMNAGAA
SCHEMBL3735480 0.91 CXCR3 (0.70) CXCR3KCNH2ALDH1A1LMNAGAA
SCHEMBL3728431 0.89 CXCR3 (0.75) CXCR3KCNH2ALDH1A1LMNAPOLB
SCHEMBL113584 0.88 CXCR3 (0.67) CXCR3KCNH2ALDH1A1PDE4BLMNA
SCHEMBL114619 0.88 CXCR3 (0.67) CXCR3KCNH2ALDH1A1PDE4BLMNA
SCHEMBL3729567 0.88 CXCR3 (0.74) CXCR3KCNH2ALDH1A1LMNAPOLB
SCHEMBL3741782 0.88 CXCR3 (0.74) CXCR3KCNH2ALDH1A1LMNAGAA
SCHEMBL3736548 0.88 CXCR3 (0.66) CXCR3KCNH2ALDH1A1LMNAGAA
SCHEMBL3728576 0.88 CXCR3 (0.66) CXCR3KCNH2ALDH1A1LMNAGAA
SCHEMBL3730941 0.88 CXCR3 (0.66) CXCR3KCNH2ALDH1A1LMNAGAA

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8450317-B2 CXCR3 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-28 US claimed
EP-2424840-B1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2014-08-06 EP disclosed
EP-2424840-B1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2014-08-06 EP disclosed
US-8450317-B2 CXCR3 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-28 US disclosed
US-8450317-B2 CXCR3 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-28 US disclosed
US-8450317-B2 CXCR3 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-28 US disclosed
WO-2010126811-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-04 WO disclosed
US-20100280028-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-04 US disclosed
US-20100280028-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-04 US disclosed
US-20100280028-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-04 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 (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-20100280028-A1 CXCR3 RECEPTOR ANTAGONISTS CXCR3, CXCR1, CXCR2 CXCR3 1/4885KCNH2 1561/4885ALDH1A1 1298/4885

“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.