SCHEMBL2499031

SCHEMBL2499031

N=c1n(CCCOc2ccccc2)c2ccccc2n1Cc1ccc(N2CCN(Cc3ccccc3-c3ccccc3)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 7/20 0.52
HRH3 Q9Y5N1 3/20 0.48
DRD2 P14416 4/20 0.47
DRD3 P35462 4/20 0.47
HTR1A P08908 3/20 0.47
HTR2A P28223 3/20 0.47
TMEM97 Q5BJF2 3/20 0.47
SIGMAR1 Q99720 3/20 0.47
HRH1 P35367 4/20 0.47
TSHR P16473 1/20 0.45
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
HRH2 P25021 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
SCHEMBL2494421 0.95 DRD2 (0.54) HTR7HRH3DRD2DRD3HTR1A
SCHEMBL2495273 0.94 HTR1A (0.51) HTR7HRH3DRD2DRD3HTR1A
SCHEMBL2493715 0.90 HTR7 (0.50) HTR7HRH3DRD2DRD3HTR1A
SCHEMBL2496615 0.90 HTR7 (0.43) HTR7HRH3DRD2DRD3HTR1A
SCHEMBL2500052 0.89 HTR1A (0.48) HTR7HRH3DRD2DRD3HTR1A
SCHEMBL2494194 0.88 DRD2 (0.54) HTR7HRH3DRD2DRD3HTR1A
SCHEMBL2469807 0.87 HTR7 (0.64) HTR7DRD2DRD3TSHRALDH1A1
SCHEMBL2494400 0.87 TP53 (0.53) HTR7HRH3DRD2DRD3HTR1A
SCHEMBL2500360 0.87 HTR7 (0.49) HTR7HRH3DRD2DRD3HTR1A
SCHEMBL2496540 0.86 HTR7 (0.43) HTR7MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2373629-B1 COMPOUNDS FOR TREATING CANCER BOEHRINGER INGELHEIM INT (DE) 2013-04-10 EP claimed
US-20110312969-A1 COMPOUNDS FOR TREATING CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 US claimed
EP-2373629-A1 COMPOUNDS FOR TREATING CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-12 EP claimed
WO-2010067067-A1 COMPOUNDS FOR TREATING CANCER EVOTEC AG (DE) 2010-06-17 WO claimed
US-8759520-B2 Compounds for treating cancer BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-06-24 US disclosed
US-8759520-B2 Compounds for treating cancer BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-06-24 US disclosed
US-8759520-B2 Compounds for treating cancer BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-06-24 US disclosed
EP-2373629-B1 COMPOUNDS FOR TREATING CANCER BOEHRINGER INGELHEIM INT (DE) 2013-04-10 EP disclosed
US-20110312969-A1 COMPOUNDS FOR TREATING CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 US disclosed
US-20110312969-A1 COMPOUNDS FOR TREATING CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 US disclosed
US-20110312969-A1 COMPOUNDS FOR TREATING CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 US disclosed
EP-2373629-A1 COMPOUNDS FOR TREATING CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-12 EP disclosed
WO-2010067067-A1 COMPOUNDS FOR TREATING CANCER EVOTEC AG (DE) 2010-06-17 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-20110312969-A1 COMPOUNDS FOR TREATING CANCER BCL2, BAX, BCL2A1 HTR7 2753/4885HRH3 2644/4885DRD2 2373/4885

“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.