SCHEMBL14686997

SCHEMBL14686997

Cc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c(C)n1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMPD3 Q9NY59 2/20 0.49
CKS1B P61024 2/20 0.49
SKP1 P63208 2/20 0.49
SKP2 Q13309 2/20 0.49
GPR119 Q8TDV5 9/20 0.49
MAPT P10636 2/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
MEN1 O00255 1/20 0.48
TSHR P16473 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MAP4K4 O95819 1/20 0.47
SMARCA2 P51531 1/20 0.46
SMARCA4 P51532 1/20 0.46
PBRM1 Q86U86 1/20 0.46
GRM5 P41594 1/20 0.46
ACHE P22303 1/20 0.45

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
SCHEMBL18823266 0.86 POLB (0.48) SMPD3CKS1BSKP1SKP2GPR119
SCHEMBL21698657 0.86 MAP4K4 (0.51) SMPD3CKS1BSKP1SKP2GPR119
SCHEMBL30418929 0.86 MAP4K4 (0.51) SMPD3CKS1BSKP1SKP2GPR119
SCHEMBL31173930 0.86 POLB (0.48) SMPD3CKS1BSKP1SKP2GPR119
SCHEMBL16040403 0.85 CKS1B (0.49) SMPD3CKS1BSKP1SKP2GPR119
SCHEMBL27202606 0.85 CKS1B (0.49) SMPD3CKS1BSKP1SKP2GPR119
SCHEMBL27202636 0.84 SMPD3 (0.46) SMPD3CKS1BSKP1SKP2GPR119
SCHEMBL27202974 0.84 CKS1B (0.46) SMPD3CKS1BSKP1SKP2GPR119
SCHEMBL24157379 0.83 NR1H2 (0.49) SMPD3CKS1BSKP1SKP2GPR119
SCHEMBL16040669 0.83 GPR119 (0.52) SMPD3CKS1BSKP1SKP2GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2565182-B1 NOVEL AMIDE DERIVATIVE AND USE THEREOF AS MEDICINE MITSUBISHI TANABE PHARMA CORP (JP) 2017-10-11 EP disclosed
US-8816079-B2 Amide derivative and use thereof as medicine MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-08-26 US disclosed
CN-102971291-A Novel amide derivative and use thereof as medicine MITSUBISHI TANABE PHARMA CORP 2013-03-13 CN disclosed
EP-2565182-A1 NOVEL AMIDE DERIVATIVE AND USE THEREOF AS MEDICINE Mitsubishi Tanabe Pharma Corporation (JP) 2013-03-06 EP disclosed
US-20130040930-A1 NOVEL AMIDE DERIVATIVE AND USE THEREOF AS MEDICINE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-02-14 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-20130040930-A1 NOVEL AMIDE DERIVATIVE AND USE THEREOF AS MEDICINE MMP9, MMP10, MMP2 SMPD3 356/4885CKS1B 4350/4885SKP1 3027/4885

“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.