Sugi Predict

Sugi Predict / Compounds / SCHEMBL4186958

SCHEMBL4186958

SCHEMBL4186958

CC(C)(C)OC(=O)NC1CCC(NC(=O)c2cc(Cl)cnc2OC2CCSCC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CACNB4 O00305 1/20 0.42
▸ CACNA1A O00555 1/20 0.42
▸ CACNA1G O43497 1/20 0.42
▸ CACNG3 O60359 1/20 0.42
▸ CACNA1F O60840 1/20 0.42
▸ CACNA1H O95180 1/20 0.42
▸ CACNB3 P54284 1/20 0.42
▸ CACNA2D1 P54289 1/20 0.42
▸ CACNG7 P62955 1/20 0.42
▸ CACNA1B Q00975 1/20 0.42
▸ CACNA1D Q01668 1/20 0.42
▸ CACNB1 Q02641 1/20 0.42
▸ CACNG1 Q06432 1/20 0.42
▸ CACNB2 Q08289 1/20 0.42
▸ CACNA1S Q13698 1/20 0.42
▸ CACNA1C Q13936 1/20 0.42
▸ CACNA1E Q15878 1/20 0.42
▸ CACNA2D4 Q7Z3S7 1/20 0.42
▸ CACNA2D3 Q8IZS8 1/20 0.42
▸ CACNG8 Q8WXS5 1/20 0.42

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
SCHEMBL13929049 1.00 CACNB4 (0.42) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL8303269 0.90 TYK2 (0.43) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL4198559 0.90 TYK2 (0.43) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL4193766 0.89 PDE4B (0.43) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL8301516 0.89 PDE4B (0.43) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL13929062 0.85 SMYD3 (0.50) CRHR1IP6K1
Hydrochloric Acid SCHEMBL4186986 0.84 SMYD3 (0.49) CRHR1IP6K1
SCHEMBL13929052 0.83 CNR2 (0.47) BTK
SCHEMBL4200640 0.83 CNR2 (0.47) BTK
SCHEMBL8297682 0.82 CRHR1 (0.52) CRHR1IRAK4BTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090035313-A1 Compounds PFIZER INC. 2009-02-05 — — US disclosed
EP-1651641-B1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS PFIZER LTD (GB) 2007-05-23 — — EP disclosed
EP-1651640-B1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS PFIZER LTD (GB) 2007-02-14 — — EP disclosed
US-20060178408-A1 Nicotinamide derivatives useful as pde4 inhibitors BARBER CHRISTOPHER G 2006-08-10 — — US disclosed
US-20050043326-A1 Compounds PFIZER INC 2005-02-24 — — US disclosed
US-20050020611-A1 Compounds PFIZER INC. 2005-01-27 — — 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 (4 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-20050020611-A1 Compounds NQO1, NAMPT, NNT CACNB4 4119/4885CACNA1A 2222/4885CACNA1G 4050/4885
US-20060178408-A1 Nicotinamide derivatives useful as pde4 inhibitors PDE4A, PDE4B, PDE4C CACNB4 2252/4885CACNA1A 2111/4885CACNA1G 3767/4885
US-20090035313-A1 Compounds NQO1, NAMPT, NNT CACNB4 4119/4885CACNA1A 2222/4885CACNA1G 4050/4885
US-20050043326-A1 Compounds NQO1, NAMPT, NNT CACNB4 4119/4885CACNA1A 2222/4885CACNA1G 4050/4885

“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.