SCHEMBL3057724

SCHEMBL3057724

CC(C)(C)OC(=O)N1CCN(c2cc(C(=O)O)cc(-c3ccc(F)cc3F)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.46
PIK3CA P42336 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 3/20 0.43
LMNA P02545 3/20 0.43
ALDH1A1 P00352 1/20 0.43
GPR119 Q8TDV5 4/20 0.42
P2RY14 Q15391 3/20 0.41
FAAH O00519 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
CYP2C19 P33261 1/20 0.40
TP53 P04637 1/20 0.40
THRB P10828 1/20 0.40
CKS1B P61024 1/20 0.39
SKP1 P63208 1/20 0.39
SKP2 Q13309 1/20 0.39

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
SCHEMBL3269653 0.84 PDK2 (0.53) PDK2PIK3CAMAPTLMNAALDH1A1
SCHEMBL3269268 0.82 FAAH (0.59) PDK2PIK3CASMN1; SMN2MAPTLMNA
SCHEMBL19404228 0.82 TTR (0.51) PDK2PIK3CASMN1; SMN2MAPTLMNA
SCHEMBL20293573 0.79 GPR119 (0.58) SMN1; SMN2MAPTLMNAGPR119TP53
SCHEMBL23456300 0.77 SMN1; SMN2 (0.52) PDK2PIK3CASMN1; SMN2MAPTLMNA
SCHEMBL19404281 0.77 GPR119 (0.52) PDK2PIK3CASMN1; SMN2MAPTLMNA
SCHEMBL3267623 0.76 FAAH (0.60) LMNAGPR119FAAHCKS1BSKP1
SCHEMBL3269757 0.76 FAAH (0.60) PDK2SMN1; SMN2MAPTLMNAALDH1A1
SCHEMBL16527926 0.76 LMNA (0.48) PDK2PIK3CASMN1; SMN2MAPTLMNA
SCHEMBL22532774 0.76 SMN1; SMN2 (0.56) SMN1; SMN2MAPTLMNAALDH1A1GPR119

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-2215049-B1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME (US) 2019-06-12 EP disclosed
US-8247401-B2 P2X3 receptor antagonists for treatment of pain MERCK SHARP & DOHME CORP. (US) 2012-08-21 US disclosed
US-20100266714-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME LLC 2010-10-21 US disclosed
EP-2215049-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN Merck Sharp & Dohme Corp. (US) 2010-08-11 EP disclosed
WO-2009058298-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK & CO., INC. (US) 2009-05-07 WO 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-20100266714-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN P2RX3, P2RX1, P2RX2 PDK2 3769/4885PIK3CA 1435/4885SMN1; SMN2 1758/4885

“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.