SCHEMBL7004385

SCHEMBL7004385

Cc1cc(C)c(-c2c3nc(C)cc(Cl)c3n3ccccc23)c(C)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
PTPN1 P18031 2/20 0.35
ALDH1A1 P00352 4/20 0.35
GAA P10253 3/20 0.35
HPGD P15428 3/20 0.35
GLA P06280 2/20 0.35
CRHR1 P34998 2/20 0.34
KDM4E B2RXH2 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
RAB9A P51151 1/20 0.34
LCK P06239 1/20 0.34
LMNA P02545 2/20 0.33
TP53 P04637 2/20 0.33
ESR1 P03372 1/20 0.32
HTT P42858 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL7006275 0.85 LMNA (0.35) MAPTPTPN1ALDH1A1GAAGLA
SCHEMBL7004989 0.83 GAA (0.33) MAPTL3MBTL1PTPN1ALDH1A1GAA
SCHEMBL7012544 0.81 CYP19A1 (0.34) MAPTGAACRHR1KDM4ELCK
SCHEMBL7006813 0.79 CRHR1 (0.53) CRHR1
SCHEMBL7005620 0.77 NCF1 (0.46) MAPTL3MBTL1ALDH1A1GAAHPGD
SCHEMBL7010054 0.77 CDK5 (0.33) MAPTPTPN1CRHR1LCKLMNA
SCHEMBL7007275 0.76 CRHR1 (0.55) CRHR1LMNA
SCHEMBL6094470 0.75 CRHR1 (0.33) ALDH1A1GAAGLACRHR1KDM4E
SCHEMBL6092887 0.73 PTPN1 (0.37) MAPTPTPN1ALDH1A1GAAHPGD
SCHEMBL7008469 0.69 CRHR1 (0.46) ALDH1A1HPGDCRHR1KDM4E

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 4631/4885L3MBTL1 3618/4885PTPN1 1806/4885

“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.