SCHEMBL6133374

SCHEMBL6133374

COc1ccc(Cn2cc(C3CCN(S(C)(=O)=O)CC3)c3ccc(C#N)cc32)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 12/20 0.45
HRH2 P25021 2/20 0.43
DRD4 P21917 1/20 0.42
PDE2A O00408 2/20 0.41
HTR2A P28223 2/20 0.41
HTR2C P28335 2/20 0.41
HTR2B P41595 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SMO Q99835 1/20 0.41

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
SCHEMBL5705214 0.89 PDE5A (0.47) PDE5AHRH2DRD4PDE2ASMO
SCHEMBL6133154 0.87 HRH2 (0.46) PDE5AHRH2DRD4PDE2AHTR2A
Hydrochloric Acid SCHEMBL5705131 0.85 PDE5A (0.47) PDE5APDE2A
SCHEMBL7188251 0.78 EP300 (0.48) PDE5ADRD4PDE2ASMN1; SMN2
SCHEMBL7178143 0.75 EP300 (0.43) PDE5ADRD4PDE2ASMN1; SMN2
SCHEMBL7178145 0.75 EP300 (0.43) PDE5ADRD4PDE2ASMN1; SMN2
SCHEMBL7179341 0.75 EP300 (0.43) PDE5ADRD4PDE2ASMN1; SMN2
SCHEMBL7191329 0.72 PDE7A (0.45) PDE5ADRD4PDE2A
SCHEMBL7183896 0.69 PDE7A (0.45) PDE5ADRD4PDE2A
SCHEMBL7182981 0.69 PDE7A (0.45) PDE5ADRD4PDE2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050245540-A1 New methods FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-11-03 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-20050245540-A1 New methods TGFB1, TGFBR1, TGFB2 PDE5A 612/4885HRH2 60/4885DRD4 2500/4885

“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.