SCHEMBL2581288

SCHEMBL2581288

CC[C@H](c1ccccc1)N(C)C(=O)c1csc(C2CCN(C(=O)Cc3cc(C)ccc3C)CC2)n1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FAAH O00519 7/20 0.39
P2RX3 P56373 1/20 0.35
LMNA P02545 1/20 0.34
PPARG P37231 1/20 0.34
TP53 P04637 1/20 0.33
OPRK1 P41145 1/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TACR1 P25103 2/20 0.33
TRPV1 Q8NER1 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ALOX12 P18054 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
SCHEMBL2584190 0.85 CCR3 (0.40) FAAHLMNAPPARGTP53OPRK1
SCHEMBL2583858 0.84 MAPT (0.36) P2RX3LMNATP53OPRK1NPSR1
SCHEMBL1228585 0.82 FAAH (0.42) FAAHP2RX3LMNATP53MEN1
SCHEMBL15049876 0.80 CCR3 (0.35) LMNAHTTTACR1
SCHEMBL2584187 0.80 KDM4E (0.42) LMNAPPARG
SCHEMBL27879779 0.80 KDM4E (0.42) LMNAPPARG
SCHEMBL9105880 0.80 SPR (0.42) FAAHLMNAPPARGTP53MEN1
SCHEMBL1228591 0.79 FAAH (0.42) FAAHLMNAPPARGMEN1HTT
SCHEMBL2581282 0.79 GPR119 (0.44) FAAHMEN1KMT2A
SCHEMBL27863492 0.78 NPC1 (0.40) FAAHP2RX3LMNAPPARGMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8586611-B2 Fungicidal carboxamides E. I. DU PONT DE NEMOURS AND COMPANY (US) 2013-11-19 US disclosed
EP-1948649-B1 FUNGICIDAL CARBOXAMIDES DU PONT (US) 2013-06-26 EP disclosed
US-20110269712-A1 Fungicidal Carboxamides BISAHA JOHN JOSEPH 2011-11-03 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-20110269712-A1 Fungicidal Carboxamides NAT1, PFAS, CHRM1 FAAH 1964/4885P2RX3 1217/4885LMNA 2084/4885

“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.