SCHEMBL2076837

SCHEMBL2076837

COc1ccc(-c2cn(Cc3ccccc3)c3c2CN(C(=O)OC(C)(C)C)CC3)cc1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
KCNK3 O14649 1/20 0.46
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
P2RX3 P56373 1/20 0.42
MGAT2 Q10469 1/20 0.42
DGAT2 Q96PD7 1/20 0.42
TP53 P04637 1/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41

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
SCHEMBL2074439 0.92 HDAC1 (0.52) HDAC1HDAC6P2RX3OPRD1OPRK1
SCHEMBL20596543 0.88 HDAC1 (0.45) HDAC1HDAC6KCNK3KDM4EMAPT
SCHEMBL2076002 0.87 HDAC1 (0.46) HDAC1HDAC6MAPT
SCHEMBL2076946 0.87 HDAC1 (0.51) HDAC1HDAC6TP53OPRD1OPRK1
SCHEMBL2074302 0.85 OPRD1 (0.47) HDAC1HDAC6OPRD1OPRK1
SCHEMBL2075750 0.84 VEGFA (0.45) HDAC1HDAC6TP53OPRD1OPRK1
SCHEMBL2075854 0.81 HDAC1 (0.47) HDAC1HDAC6P2RX3TP53OPRD1
SCHEMBL2075837 0.79 F2RL3 (0.45) MAPTTP53
SCHEMBL2073488 0.78 MAPK1 (0.44) HDAC1HDAC6OPRD1OPRK1
SCHEMBL17868597 0.74 KCNK3 (0.48) HDAC1HDAC6KCNK3KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7897771-B2 Fused heterocyclic compounds JANSSEN PHARMACEUTICA NV (BE) 2011-03-01 US disclosed
US-20110040088-A1 FUSED HETEROCYCLIC COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2011-02-17 US disclosed
US-20090270370-A1 FUSED HETEROCYCLIC COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2009-10-29 US disclosed
US-7579470-B2 Fused heterocyclic compounds JANSSEN PHARMACEUTICA NV (BE) 2009-08-25 US disclosed
US-7402680-B2 Fused heterocyclic compounds JANSSEN PHARMACEUTICA, N.V. (BE) 2008-07-22 US disclosed
EP-1944306-A1 Fused heterocyclic compounds as serotonin receptor modulators Janssen Pharmaceutica, N.V. (BE) 2008-07-16 EP disclosed
US-20080103132-A1 FUSED HETEROCYCLIC COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2008-05-01 US disclosed
EP-1905774-A1 Fused heterocyclic compounds as serotonin receptor modulators Janssen Pharmaceutica, N.V. (BE) 2008-04-02 EP disclosed
US-20050119295-A1 Fused heterocyclic compounds JANSSEN PHARMACEUTICA, N.V. (BE) 2005-06-02 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 (4 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-20050119295-A1 Fused heterocyclic compounds TPH1, HTR3A, HTR3B HDAC1 560/4885HDAC6 466/4885KCNK3 1612/4885
US-20110040088-A1 FUSED HETEROCYCLIC COMPOUNDS TPH1, HTR3A, HTR3B HDAC1 560/4885HDAC6 466/4885KCNK3 1612/4885
US-20090270370-A1 FUSED HETEROCYCLIC COMPOUNDS TPH1, HTR3A, HTR3B HDAC1 560/4885HDAC6 466/4885KCNK3 1612/4885
US-20080103132-A1 FUSED HETEROCYCLIC COMPOUNDS TPH1, HTR3A, HTR3B HDAC1 560/4885HDAC6 466/4885KCNK3 1612/4885

“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.