SCHEMBL13377365

SCHEMBL13377365

Cc1c(C(F)(F)F)c2c(n(C)c1=O)CCCC2

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 1/20 0.40
▸ LMNA P02545 3/20 0.35
▸ TSHR P16473 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.31
▸ HTT P42858 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ CYP1A2 P05177 2/20 0.31
▸ GRIA2 P42262 2/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ ALOX5 P09917 1/20 0.30
▸ PTGS1 P23219 1/20 0.30
▸ PTGS2 P35354 1/20 0.30
▸ CRHBP P24387 1/20 0.30
▸ CRHR2 Q13324 1/20 0.30
▸ HIF1A Q16665 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
SCHEMBL13377320 0.97 RXFP1 (0.36) RXFP1LMNATSHRNPSR1SMN1; SMN2
SCHEMBL21956885 0.80 RXFP1 (0.35) RXFP1LMNATSHRNPSR1
SCHEMBL22017353 0.78 POLB (0.35) RXFP1LMNATSHRNPSR1GRIA2
SCHEMBL22016172 0.78 RXFP1 (0.33) RXFP1LMNATSHRNPSR1SMN1; SMN2
SCHEMBL28591800 0.76 MAPT (0.38) RXFP1LMNATSHRNPSR1SMN1; SMN2
SCHEMBL13377464 0.76 RXFP1 (0.36) RXFP1LMNATSHRNPSR1SMN1; SMN2
SCHEMBL13377341 0.74 — —
SCHEMBL13377306 0.72 RXFP1 (0.33) RXFP1LMNATSHRNPSR1
SCHEMBL31223986 0.71 RXFP1 (0.38) RXFP1ALDH1A1GAA
Hydrochloric Acid SCHEMBL31245587 0.66 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100099561-A1 HETEROBICYCLIC ALKYLTHIO-BRIDGED ISOXAZOLINES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2010-04-22 — — US disclosed
US-20100099561-A1 HETEROBICYCLIC ALKYLTHIO-BRIDGED ISOXAZOLINES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2010-04-22 — — 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 (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-20100099561-A1 HETEROBICYCLIC ALKYLTHIO-BRIDGED ISOXAZOLINES UQCRB, CCNB3, CCNB1 RXFP1 797/4885LMNA 2155/4885TSHR 2265/4885

“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.

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