SCHEMBL2496992

SCHEMBL2496992

CC1(C)CCC(c2ccc(Cl)cc2)=C(CN2CCN(c3ccc(Cn4c(=N)n(CCCOc5ccccc5)c5ccccc54)cc3)CC2)C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 6/20 0.55
BCL2 P10415 8/20 0.49
DRD2 P14416 5/20 0.47
DRD3 P35462 5/20 0.47
HTR1A P08908 3/20 0.47
HTR2A P28223 3/20 0.47
TMEM97 Q5BJF2 2/20 0.47
SIGMAR1 Q99720 2/20 0.47
DRD4 P21917 1/20 0.40
MITF O75030 1/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HRH1 P35367 2/20 0.39
HRH2 P25021 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
DRD1 P21728 1/20 0.38

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
SCHEMBL2493081 0.94 BCL2L1 (0.51) BCL2L1BCL2DRD2DRD3HTR1A
SCHEMBL2495935 0.89 BCL2L1 (0.50) BCL2L1BCL2DRD2DRD3HTR1A
SCHEMBL2493411 0.88 BCL2L1 (0.45) BCL2L1BCL2DRD2DRD3HTR1A
SCHEMBL13331773 0.87 BCL2L1 (0.45) BCL2L1BCL2DRD2DRD3HTR1A
SCHEMBL2493656 0.86 BCL2L1 (0.54) BCL2L1BCL2
SCHEMBL2497285 0.81 BCL2L1 (0.41) BCL2L1BCL2DRD2DRD3HTR1A
SCHEMBL2494421 0.81 DRD2 (0.54) BCL2DRD2DRD3HTR1AHTR2A
SCHEMBL13332632 0.80 BCL2L1 (0.48) BCL2L1BCL2BCL2L11CYP2C9MCL1
SCHEMBL2493482 0.78 DRD2 (0.62) DRD2DRD3HTR1AHTR2ATMEM97
SCHEMBL2491791 0.78 DRD2 (0.62) DRD2DRD3HTR1AHTR2ATMEM97

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8759520-B2 Compounds for treating cancer BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-06-24 US claimed
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
US-10195213-B2 Chemical entities that kill senescent cells for use in treating age-related disease UNITY BIOTECHNOLOGY, INC. (US) 2019-02-05 US disclosed
US-20170281649-A1 COMPOUNDS AND THERAPEUTIC USES UNITY BIOTECHNOLOGY, INC. 2017-10-05 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
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 (3 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-20170281649-A1 COMPOUNDS AND THERAPEUTIC USES TP53, NQO1, SHMT2 BCL2L1 953/4885BCL2 520/4885DRD2 4754/4885
US-20110312969-A1 COMPOUNDS FOR TREATING CANCER BCL2, BAX, BCL2A1 BCL2L1 5/4885BCL2 1/4885DRD2 2373/4885
US-10195213-B2 Chemical entities that kill senescent cells for use in treating age-related disease TP53, CDKN1A, GLA BCL2L1 464/4885BCL2 132/4885DRD2 4588/4885

“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.