SCHEMBL3735656

SCHEMBL3735656

COc1ncc(-c2ccccc2N2CCN(C(=O)CN3Cc4ccccc4C3=O)CC2)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
DRD2 P14416 1/20 0.46
DRD5 P21918 1/20 0.46
HTR7 P34969 1/20 0.46
DRD3 P35462 1/20 0.46
CXCR3 P49682 1/20 0.44
KCNH2 Q12809 1/20 0.44
RAB9A P51151 1/20 0.42
PREP P48147 2/20 0.41
DPP4 P27487 1/20 0.41
FAP Q12884 1/20 0.41
DPP8 Q6V1X1 1/20 0.41
DPP9 Q86TI2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
THRB P10828 1/20 0.41
MAPK1 P28482 5/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL162487 0.83 ALDH1A1 (0.57) MAPTCXCR3KCNH2RAB9ASMN1; SMN2
SCHEMBL3734735 0.80 ALDH1A1 (0.64) MAPTDRD2DRD5HTR7DRD3
SCHEMBL3739637 0.79 THRB (0.44) DRD2DRD5HTR7DRD3CXCR3
SCHEMBL112660 0.79 LMNA (0.53) MAPTCXCR3KCNH2SMN1; SMN2LMNA
SCHEMBL168466 0.78 THRB (0.45) CXCR3KCNH2PREPDPP4FAP
SCHEMBL3732667 0.78 CXCR3 (0.47) MAPTCXCR3KCNH2SMN1; SMN2THRB
SCHEMBL168582 0.78 THRB (0.43) MAPTCXCR3KCNH2PREPDPP4
SCHEMBL168581 0.77 THRB (0.42) MAPTCXCR3KCNH2PREPDPP4
SCHEMBL115433 0.77 MAPT (0.47) MAPTCXCR3KCNH2SMN1; SMN2TSHR
SCHEMBL161561 0.77 CXCR3 (0.48) MAPTCXCR3KCNH2SMN1; SMN2THRB

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
WO-2010126811-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-04 WO 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 MAPT 4724/4885DRD2 511/4885DRD5 903/4885

“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.