SCHEMBL3735517

SCHEMBL3735517

O=C(CN1CCCCC1)N1CCN(c2ccccc2-c2ccccc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.64
MAPT P10636 2/20 0.64
CXCR3 P49682 1/20 0.60
KCNH2 Q12809 1/20 0.60
KDM4E B2RXH2 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
GAA P10253 1/20 0.53
HTR1A P08908 9/20 0.52
DRD2 P14416 3/20 0.52
HTR7 P34969 7/20 0.51
HTR2A P28223 1/20 0.51
HTR6 P50406 1/20 0.51
DPP4 P27487 1/20 0.50

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
SCHEMBL3732864 0.82 KMT2A (0.71) ALDH1A1MAPTCXCR3KCNH2KDM4E
SCHEMBL3732700 0.81 CXCR3 (0.58) ALDH1A1MAPTCXCR3KCNH2HTR1A
SCHEMBL5238054 0.78 HTR1A (0.57) ALDH1A1CXCR3KCNH2KDM4EHTR1A
SCHEMBL13093381 0.77 ALDH1A1 (0.62) ALDH1A1MAPTKDM4ETDP1GAA
SCHEMBL166815 0.77 CXCR3 (0.57) ALDH1A1MAPTCXCR3KCNH2KDM4E
SCHEMBL14452906 0.76 MAPT (0.77) ALDH1A1MAPTGAAHTR1AHTR7
SCHEMBL13039956 0.76 HTR7 (0.67) ALDH1A1MAPTKDM4ETDP1GAA
SCHEMBL27876080 0.76 HTR7 (0.67) ALDH1A1MAPTKDM4ETDP1GAA
SCHEMBL13039613 0.76 CXCR3 (0.59) ALDH1A1MAPTCXCR3KCNH2KDM4E
SCHEMBL13039596 0.76 CXCR3 (0.68) ALDH1A1MAPTCXCR3KCNH2KDM4E

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 12 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 claimed
US-8450317-B2 CXCR3 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-28 US claimed
US-20100280028-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-04 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 ALDH1A1 1298/4885MAPT 4724/4885CXCR3 1/4885

“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.