SCHEMBL4094738

SCHEMBL4094738

Clc1ccccc1Nc1nc(C2CCCCC2)nc2ccccc12

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 3/20 0.70
OGG1 O15527 1/20 0.59
NPY5R Q15761 2/20 0.47
EGLN1 Q9GZT9 1/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
ALDH1A1 P00352 1/20 0.46
C1R P00736 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ADORA3 P0DMS8 7/20 0.46
RAD52 P43351 1/20 0.44
TMEM97 Q5BJF2 3/20 0.43
SIGMAR1 Q99720 2/20 0.43
DRD3 P35462 2/20 0.43

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
SCHEMBL14262930 0.78 PDE5A (0.85) PDE5AOGG1NPY5RALDH1A1SMN1; SMN2
SCHEMBL14262923 0.76 PDE5A (0.82) PDE5AOGG1NPY5RALDH1A1SMN1; SMN2
SCHEMBL4836360 0.76 PDE5A (0.60) PDE5AOGG1ALDH1A1ADORA3TMEM97
SCHEMBL13356962 0.76 PDE5A (0.60) PDE5AOGG1ALDH1A1ADORA3TMEM97
SCHEMBL786840 0.75 PDE5A (0.62) PDE5AOGG1NPY5RSMN1; SMN2ADORA3
SCHEMBL4095293 0.74 PDE5A (1.00) PDE5AOGG1ALDH1A1RAD52
SCHEMBL4856833 0.73 PDE5A (0.64) PDE5AOGG1NPY5RALDH1A1SMN1; SMN2
SCHEMBL4867110 0.73 PDE5A (0.70) PDE5AOGG1RAB9AALDH1A1SMN1; SMN2
SCHEMBL28054407 0.73 PDE5A (0.63) PDE5AOGG1ALDH1A1SMN1; SMN2
SCHEMBL4085200 0.72 PDE5A (1.00) PDE5AALDH1A1

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
US-20090209536-A1 AMINOQUINAZOLINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-08-20 US disclosed
US-20090209536-A1 AMINOQUINAZOLINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-08-20 US disclosed
US-20090209536-A1 AMINOQUINAZOLINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-08-20 US disclosed
WO-2008157500-A1 AMINOQUINAZOLINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2008-12-24 WO 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-20090209536-A1 AMINOQUINAZOLINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE CNR2, CNR1, GPR18 PDE5A 1861/4885OGG1 2592/4885NPY5R 201/4885

“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.