SCHEMBL2980473

SCHEMBL2980473

COC(CN1CCN(S(C)(=O)=O)CC1)CN1[C@@H]2C[CH]C[C@@]1(C(N)=O)CC2

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30

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
SCHEMBL3987119 0.91
SCHEMBL1021565 0.87 HTR4 (0.37) CYP2D6SMN1; SMN2
SCHEMBL2980596 0.87 HTR4 (0.37) CYP2D6SMN1; SMN2
SCHEMBL1022505 0.87 HTR4 (0.37) CYP2D6SMN1; SMN2
SCHEMBL1022503 0.87 HTR4 (0.37) CYP2D6SMN1; SMN2
SCHEMBL3981204 0.86 PIK3CD (0.35) ALDH1A1
SCHEMBL3979933 0.85 CYP2D6 (0.32) CYP2D6SMN1; SMN2ALDH1A1
SCHEMBL3989979 0.84
SCHEMBL3413738 0.83 KDM1A (0.35) SMN1; SMN2ALDH1A1
SCHEMBL3045274 0.80

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100292223-A1 INDAZOLE-CARBOXAMIDE COMPOUNDS THERAVANCE, INC. (US) 2010-11-18 US claimed
EP-1831211-B1 INDAZOLE-CARBOXAMIDE COMPOUNDS THERAVANCE INC (US) 2010-06-02 EP claimed
US-20060135764-A1 Indazole-carboxamide compounds THERAVANCE, INC. 2006-06-22 US claimed
US-20100292223-A1 INDAZOLE-CARBOXAMIDE COMPOUNDS THERAVANCE, INC. (US) 2010-11-18 US disclosed
US-7786136-B2 Indazole-carboxamide compounds THERAVANCE, INC. (US) 2010-08-31 US disclosed
EP-1831211-B1 INDAZOLE-CARBOXAMIDE COMPOUNDS THERAVANCE INC (US) 2010-06-02 EP disclosed
US-7419989-B2 Indazole-carboxamide compounds THERAVANCE, INC. (US) 2008-09-02 US disclosed
US-20080132491-A1 Indazole-carboxamide compounds THERAVANCE BIOPHARMA R&D IP, LLC 2008-06-05 US disclosed
US-20060135764-A1 Indazole-carboxamide compounds THERAVANCE, INC. 2006-06-22 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 (3 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-20100292223-A1 INDAZOLE-CARBOXAMIDE COMPOUNDS HTR4, HTR5A, HTR3B CYP2D6 594/4885SMN1; SMN2 3386/4885ALDH1A1 1634/4885
US-20080132491-A1 Indazole-carboxamide compounds HTR4, HTR5A, HTR3B CYP2D6 594/4885SMN1; SMN2 3386/4885ALDH1A1 1634/4885
US-20060135764-A1 Indazole-carboxamide compounds HTR4, HTR5A, HTR3B CYP2D6 594/4885SMN1; SMN2 3386/4885ALDH1A1 1634/4885

“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.