SCHEMBL113953

SCHEMBL113953

COc1ncc(-c2ccccc2N2CCNCC2)cn1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 12/20 0.64
HTR1A P08908 4/20 0.64
HTR6 P50406 3/20 0.59
HTR2A P28223 1/20 0.59
HTR5A P47898 1/20 0.59
HTR3A P46098 3/20 0.54
ADRB1 P08588 2/20 0.54
HTR3E A5X5Y0 1/20 0.54
HTR3B O95264 1/20 0.54
DRD2 P14416 1/20 0.54
CYP2C19 P33261 1/20 0.54
DRD3 P35462 1/20 0.54
HTR3D Q70Z44 1/20 0.54
HTR3C Q8WXA8 1/20 0.54
SIGMAR1 Q99720 1/20 0.54
LMNA P02545 1/20 0.52
MAPT P10636 1/20 0.52
HTR2B P41595 3/20 0.51
HTR1B P28222 1/20 0.44

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
SCHEMBL14060577 0.78 HTR7 (1.00) HTR7HTR1AHTR6HTR2AHTR5A
Hydrochloric Acid SCHEMBL7921826 0.77 HTR7 (0.97) HTR7HTR1AHTR6HTR2AHTR5A
SCHEMBL115018 0.76 SCN9A (0.39) HTR7HTR1A
SCHEMBL13076728 0.76 HTR7 (0.56) HTR7HTR1AHTR6HTR2AHTR5A
SCHEMBL109888 0.75 CKS1B (0.53)
SCHEMBL30022433 0.75 HTR7 (1.00) HTR7HTR1AHTR6HTR2AHTR5A
SCHEMBL3759275 0.75 HTR7 (1.00) HTR7HTR1AHTR6HTR2AHTR5A
SCHEMBL9058691 0.75 HTR7 (1.00) HTR7HTR1AHTR6HTR2AHTR5A
Hydrochloric Acid SCHEMBL20293535 0.74 HTR7 (0.59) HTR7HTR1AHTR6HTR2AHTR3A
SCHEMBL20607566 0.74 CHRNB2 (0.58) HTR1AHTR3AADRB1HTR3EHTR3B

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
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
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
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

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 HTR7 1045/4885HTR1A 577/4885HTR6 1301/4885

“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.