SCHEMBL17300421

SCHEMBL17300421

CC(F)(F)CCC(=O)N1CCC2(CC1)CC(c1ccc(C(C)(C)C)cc1)=NO2

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
MAPK1 P28482 1/20 0.38
POLB P06746 1/20 0.38
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
ALOX5 P09917 1/20 0.35

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
SCHEMBL15837685 0.94 NPC1 (0.42) MAPTRAB9ANPC1SMN1; SMN2LMNA
SCHEMBL17300424 0.94 ADAMTS5 (0.38) NPC1
SCHEMBL17300438 0.91 ALDH1A1 (0.42) RAB9ANPC1SMN1; SMN2LMNA
SCHEMBL17300432 0.91 SSTR5 (0.40) RAB9ANPC1
SCHEMBL17300417 0.90 RXFP1 (0.39) MAPTRAB9ANPC1MAPK1POLB
SCHEMBL17300419 0.90 NPC1 (0.43) NPC1
SCHEMBL17300420 0.88 ALDH1A1 (0.42) MAPTRAB9ANPC1SMN1; SMN2LMNA
SCHEMBL17300441 0.88 FKBP1A (0.39) MAPTNPC1TP53POLBCNR2
SCHEMBL17300440 0.87 EPHX2 (0.42) SMN1; SMN2LMNA
SCHEMBL17300443 0.87 TRPV1 (0.38) NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150344498-A1 Spiroisoxazoline Compounds Having an Activity Potentiating the Activity of an Antibiotic UNIVERSITE DE DROIT ET DE LA SANTE DE LILLE 2 (FR) 2015-12-03 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-20150344498-A1 Spiroisoxazoline Compounds Having an Activity Potentiating the Activity of an Antibiotic NPPA, CFTR, TCF7 MAPT 4585/4885RAB9A 1044/4885NPC1 143/4885

“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.