SCHEMBL7007266

SCHEMBL7007266

Cc1cc(C)c(-c2c3nc(C)cc(O)c3n3ccncc23)c(C)c1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.36
GAA P10253 4/20 0.36
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
RAPGEF4 Q8WZA2 2/20 0.33
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
CRHR1 P34998 1/20 0.30

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
SCHEMBL7012544 0.85 CYP19A1 (0.34) MAPTGAAKDM4ERAPGEF4CRHR1
SCHEMBL7006275 0.81 LMNA (0.35) MAPTGAAKDM4EALDH1A1HTT
SCHEMBL7007793 0.79 CRHR1 (0.47) CRHR1
SCHEMBL7007327 0.77 CRHR1 (0.49) CRHR1
SCHEMBL6094470 0.72 CRHR1 (0.33) GAAKDM4EALDH1A1CRHR1
SCHEMBL7004385 0.66 MAPT (0.37) MAPTGAAKDM4EALDH1A1HTT
SCHEMBL7010054 0.66 CDK5 (0.33) MAPTHTTRAPGEF4CRHR1
SCHEMBL6095943 0.65 LMNA (0.36) MAPTGAAKDM4EALDH1A1CRHR1
SCHEMBL7006813 0.61 CRHR1 (0.53) CRHR1
SCHEMBL5208719 0.60 CRHR1 (0.35) GAAKDM4EHTTCRHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1086103-B1 PYRIDO 2,3-B]INDOLIZINE DERIVATIVES AND AZA ANALOGUES THEREOF; CRF 1 SPECIFIC LIGANDS NEUROGEN CORP (US) 2003-05-02 EP disclosed
US-6495686-B2 THERAPY FOR PSYCHOLOGICAL DISORDERS NEUROGEN CORPORATION 2002-12-17 US disclosed
US-20020019525-A1 Pyrido [2,3-b] indolizine derivatives and aza analogues thereof; CRF1 specific ligands NEUROGEN 2002-02-14 US disclosed
US-6194574-B1 SELECTIVELY BIND TO CORTICOTROPIN-RELEASING FACTOR (CRF1) RECEPTORS; FOR TREATING STRESS RELATED DISORDERS SUCH AS POST TRAUMATIC STRESS DISORDER (PTSD) AS WELL AS DEPRESSION, HEADACHE AND ANXIETY NEUROGEN CORPORATION 2001-02-27 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-20020019525-A1 Pyrido [2,3-b] indolizine derivatives and aza analogues thereof; CRF1 specific ligands CRHR1, HTR1D, HTR5A MAPT 4631/4885GAA 4647/4885KDM4E 3006/4885

“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.