SCHEMBL7561996

SCHEMBL7561996

Cc1cc(C)c(-c2cn(C)c3c(N4CCCCCC4)ncnc23)c(C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.47
PKM P14618 2/20 0.47
CRHR1 P34998 1/20 0.46
MAPT P10636 6/20 0.41
KDM4E B2RXH2 5/20 0.41
LMNA P02545 4/20 0.41
HTT P42858 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
S1PR2 O95136 1/20 0.41
STAT6 P42226 1/20 0.41
HIF1A Q16665 1/20 0.41
CHRM4 P08173 5/20 0.39
ALOX15 P16050 2/20 0.39
HSD17B10 Q99714 2/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PRNP P04156 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL7563165 0.76 CRHR1 (0.33) PKMCRHR1KDM4E
SCHEMBL7565694 0.74 ALDH1A1 (0.37) CRHR1KDM4EHTTCHRM4HSD17B10
SCHEMBL7562834 0.71 CRHR1 (0.45) CRHR1KDM4ELMNAHTTSMN1; SMN2
SCHEMBL7564260 0.69 CRHR1 (0.47) CRHR1
SCHEMBL7590936 0.68 PDE1B (0.39) CRHR1TP53
SCHEMBL11471053 0.67 HTT (0.58) NPC1PKMMAPTKDM4ELMNA
SCHEMBL5785442 0.67 CRHR1 (0.36) CRHR1KDM4ESMN1; SMN2HSD17B10TSHR
SCHEMBL7563197 0.66 CRHR1 (0.40) NPC1CRHR1KDM4ELMNASMN1; SMN2
SCHEMBL7562041 0.66 CRHR1 (0.47) CRHR1TDP1
SCHEMBL7562809 0.66 CRHR1 (0.47) CRHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020065290-A1 Novel deazapurine derivatives: a new class of CRF1 specific ligands NEUROGEN CORPORATION 2002-05-30 US claimed
EP-0770080-B1 NOVEL DEAZAPURINE DERIVATIVES; A NEW CLASS OF CRF1 SPECIFIC LIGANDS NEUROGEN CORP (US) 1999-07-14 EP claimed
US-5644057-A Deazapurine derivatives; a new class of CRF1 specific ligands NEUROGEN CORPORATION (US) 1997-07-01 US claimed
US-6495688-B2 USED AS CORTICOTROPIN-RELEASING FACTOR (CRF) ANTAGONISTS, IN THERAPY AND DIAGNOSIS OF STRESS RELATED DISORDERS SUCH AS POST TRAUMATIC STRESS DISORDER (PTSD) AS WELL AS DEPRESSION, HEADACHE AND ANXIETY NEUROGEN CORPORATION 2002-12-17 US disclosed
US-20020065290-A1 Novel deazapurine derivatives: a new class of CRF1 specific ligands NEUROGEN CORPORATION 2002-05-30 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-20020065290-A1 Novel deazapurine derivatives: a new class of CRF1 specific ligands CRHR1, CRH, CRHR2 NPC1 2470/4885PKM 3826/4885CRHR1 1/4885

“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.