SCHEMBL2076002

SCHEMBL2076002

CC(C)(C)OC(=O)N1CCc2c(c(-c3ccc([N+](=O)[O-])cc3)cn2Cc2ccccc2)C1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
AR P10275 6/20 0.42

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 0.91 HDAC1 (0.52) HDAC1HDAC6
SCHEMBL2076837 0.87 HDAC1 (0.47) HDAC1HDAC6MAPT
SCHEMBL2076946 0.85 HDAC1 (0.51) HDAC1HDAC6
SCHEMBL2074302 0.84 OPRD1 (0.47) HDAC1HDAC6
SCHEMBL2075750 0.82 VEGFA (0.45) HDAC1HDAC6
SCHEMBL2075854 0.79 HDAC1 (0.47) HDAC1HDAC6LMNA
SCHEMBL2075837 0.78 F2RL3 (0.45) ALDH1A1LMNAMAPT
SCHEMBL20596543 0.77 HDAC1 (0.45) HDAC1HDAC6MAPT
SCHEMBL2073488 0.76 MAPK1 (0.44) HDAC1HDAC6
SCHEMBL12902096 0.74 AR (0.48) AR

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 466/4885ALDH1A1 2953/4885
US-20110040088-A1 FUSED HETEROCYCLIC COMPOUNDS TPH1, HTR3A, HTR3B HDAC1 560/4885HDAC6 466/4885ALDH1A1 2953/4885
US-20090270370-A1 FUSED HETEROCYCLIC COMPOUNDS TPH1, HTR3A, HTR3B HDAC1 560/4885HDAC6 466/4885ALDH1A1 2953/4885
US-20080103132-A1 FUSED HETEROCYCLIC COMPOUNDS TPH1, HTR3A, HTR3B HDAC1 560/4885HDAC6 466/4885ALDH1A1 2953/4885

“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.