SCHEMBL2982369

SCHEMBL2982369

O=Cc1ccc2cnn(C3CCCC3)c2c1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PDE9A O76083 3/20 0.41
▸ CYP2A6 P11509 3/20 0.40
▸ HTR1A P08908 1/20 0.39
▸ HTR1B P28222 1/20 0.39
▸ HTR1F P30939 1/20 0.39
▸ PIK3CD O00329 9/20 0.38
▸ PDE1C Q14123 1/20 0.35
▸ SCD O00767 3/20 0.35
▸ EZH2 Q15910 1/20 0.33

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
SCHEMBL18399275 0.82 RXRA (0.48) CYP2A6PIK3CD
SCHEMBL2980192 0.82 ALDH1A1 (0.40) PDE9AHTR1AHTR1BHTR1FPIK3CD
SCHEMBL2980189 0.82 ALDH1A1 (0.40) PDE9AHTR1AHTR1BHTR1FPIK3CD
SCHEMBL17677989 0.77 PIK3CD (0.41) PDE9AHTR1AHTR1BHTR1FPIK3CD
SCHEMBL30778591 0.77 KDM4E (0.43) PDE9AHTR1AHTR1BHTR1FPIK3CD
SCHEMBL2980987 0.77 PIK3CD (0.41) PDE9AHTR1AHTR1BHTR1FPIK3CD
SCHEMBL17678157 0.77 KMO (0.41) PDE9AHTR1AHTR1BHTR1FPIK3CD
SCHEMBL19698021 0.76 PIK3CD (0.41) PDE9AHTR1AHTR1BHTR1FPIK3CD
SCHEMBL7419168 0.75 HCAR3 (0.56) PDE9AHTR1AHTR1BHTR1F
SCHEMBL30778513 0.74 MAPT (0.46) HTR1AHTR1BHTR1F

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7781460-B2 Substituted indazoles as inhibitors of phosphodiesterase type-IV RANBAXY LABORATORIES LIMITED (IN) 2010-08-24 — — US disclosed
US-20080312285-A1 Substituted Indazoles as Inhibitors of Phosphodiesterase Type-Iv RANBAXY LABORATORIES LIMITED (IN) 2008-12-18 — — 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-20080312285-A1 Substituted Indazoles as Inhibitors of Phosphodiesterase Type-Iv PDE3B, PDE3A, PDE7A PDE9A 14/4885CYP2A6 2265/4885HTR1A 1550/4885

“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.

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