SCHEMBL113548

SCHEMBL113548

Cc1cc(C(F)(F)F)nn1CC(=O)N1CCN(c2ccccc2-c2ccc(C#N)nc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 2/20 0.57
KCNH2 Q12809 1/20 0.57
CCR1 P32246 5/20 0.49
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.41
POLB P06746 1/20 0.40
TSHR P16473 1/20 0.40
GRIN2B Q13224 1/20 0.40
ALOX15 P16050 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAPT P10636 1/20 0.38
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL115583 0.89 CXCR3 (0.72) CXCR3KCNH2GAAPOLBTSHR
SCHEMBL3741589 0.86 CXCR3 (0.76) CXCR3KCNH2CCR1KDM4EGAA
SCHEMBL114281 0.86 CXCR3 (0.58) CXCR3KCNH2CCR1KDM4EGAA
SCHEMBL3730937 0.85 CXCR3 (0.58) CXCR3KCNH2CCR1KDM4EGAA
SCHEMBL3731121 0.84 CXCR3 (0.72) CXCR3KCNH2CCR1GAAPOLB
SCHEMBL111616 0.79 CXCR3 (0.74) CXCR3KCNH2GAAPOLBTSHR
SCHEMBL115678 0.77 CXCR3 (0.80) CXCR3KCNH2TSHRMAPTDRD2
SCHEMBL3732836 0.77 CXCR3 (0.80) CXCR3KCNH2CCR1GAAPOLB
SCHEMBL113883 0.77 CXCR3 (0.47) CXCR3KCNH2GRIN2BMAPT
SCHEMBL13076993 0.76 CXCR3 (0.78) CXCR3KCNH2KDM4EPOLBTSHR

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
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
EP-2424840-A1 CXCR3 RECEPTOR ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2012-03-07 EP 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 1561/4885CCR1 11/4885

“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.