SCHEMBL7009301

SCHEMBL7009301

Cc1cc(C)c(-c2c3nc(C)nc(NCCCc4ccccc4)c3n3ccccc23)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TLR7 Q9NYK1 4/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
TP53 P04637 3/20 0.37
ADORA3 P0DMS8 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TLR8 Q9NR97 3/20 0.36
MAPK8 P45983 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
HDAC6 Q9UBN7 1/20 0.35

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
SCHEMBL7009290 0.80 CRHR1 (0.39) ALDH1A1RAB9AMEN1KMT2A
SCHEMBL7530407 0.76 CRHR1 (0.48) MAPTKDM4EALDH1A1LMNAHTT
SCHEMBL7004989 0.75 GAA (0.33) MAPTKDM4EALDH1A1HTTSMN1; SMN2
SCHEMBL7010054 0.74 CDK5 (0.33) MAPTLMNAHTTTP53
SCHEMBL7009295 0.73 CRHR1 (0.44) MAPTALDH1A1TP53
SCHEMBL7008469 0.68 CRHR1 (0.46) KDM4EALDH1A1
SCHEMBL7006275 0.67 LMNA (0.35) MAPTKDM4EALDH1A1LMNAHTT
SCHEMBL7004385 0.67 MAPT (0.37) MAPTKDM4EALDH1A1LMNAHTT
SCHEMBL7006813 0.65 CRHR1 (0.53)
SCHEMBL9127162 0.63 TLR8 (0.50) MAPTKDM4EALDH1A1LMNAHTT

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 7 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 claimed
US-6495686-B2 THERAPY FOR PSYCHOLOGICAL DISORDERS NEUROGEN CORPORATION 2002-12-17 US claimed
US-20020019525-A1 Pyrido [2,3-b] indolizine derivatives and aza analogues thereof; CRF1 specific ligands NEUROGEN 2002-02-14 US claimed
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 4631/4885KDM4E 3006/4885ALDH1A1 3033/4885

“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.