SCHEMBL3320865

SCHEMBL3320865

Cc1nc2cc(NCC(=O)C(C)(C)C)ccc2s1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.57
RAB9A P51151 6/20 0.51
NPC1 O15118 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
CASP3 P42574 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
KMT2A Q03164 2/20 0.50
TP53 P04637 2/20 0.48
LMNA P02545 4/20 0.48
HTT P42858 1/20 0.48
HSD17B10 Q99714 1/20 0.48
POLB P06746 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
PKM P14618 2/20 0.47
ALDH1A1 P00352 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
LDHA P00338 2/20 0.47
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
CA12 O43570 1/20 0.44

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
SCHEMBL5248341 0.82 TRPV1 (0.55) TRPV1RAB9ANPC1SMN1; SMN2CASP3
SCHEMBL3319497 0.80 RAB9A (0.47) TRPV1RAB9ANPC1SMN1; SMN2CASP3
SCHEMBL12510067 0.78 KMT2A (0.59) TRPV1RAB9ANPC1SMN1; SMN2CASP3
SCHEMBL3324017 0.77 P2RX7 (0.52) TRPV1RAB9ANPC1SMN1; SMN2CASP3
SCHEMBL5798843 0.77 RAB9A (0.65) TRPV1RAB9ANPC1SMN1; SMN2CASP3
SCHEMBL18235941 0.76 KMT2A (0.54) TRPV1RAB9ANPC1SMN1; SMN2CASP3
SCHEMBL4011536 0.76 LDHA (0.78) TRPV1RAB9ANPC1SMN1; SMN2CASP3
SCHEMBL12233592 0.75 KMT2A (0.59) TRPV1RAB9ANPC1SMN1; SMN2CASP3
SCHEMBL14554346 0.75 TRPV1 (0.62) TRPV1RAB9ANPC1SMN1; SMN2CASP3
SCHEMBL4034628 0.74 RAB9A (0.61) TRPV1RAB9ANPC1SMN1; SMN2CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100120789-A1 Compound STERIX LIMITED (GB) 2010-05-13 US disclosed
US-20100120789-A1 Compound STERIX LIMITED (GB) 2010-05-13 US disclosed
US-20100120789-A1 Compound STERIX LIMITED (GB) 2010-05-13 US disclosed
US-20090042929-A1 11-Beta-Hydroxysteroid Dehydrogenase Inhibitors STERIX LIMITED (GB) 2009-02-12 US disclosed
US-20090042929-A1 11-Beta-Hydroxysteroid Dehydrogenase Inhibitors STERIX LIMITED (GB) 2009-02-12 US disclosed
US-20090042929-A1 11-Beta-Hydroxysteroid Dehydrogenase Inhibitors STERIX LIMITED (GB) 2009-02-12 US disclosed
EP-1861384-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE INHIBITORS Sterix Limited (GB) 2007-12-05 EP disclosed
WO-2006100502-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE INHIBITORS STERIX LIMITED (GB) 2006-09-28 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 (2 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-20090042929-A1 11-Beta-Hydroxysteroid Dehydrogenase Inhibitors HSD3B1, HSD3B2, HSD11B1 TRPV1 4869/4885RAB9A 2432/4885NPC1 1106/4885
US-20100120789-A1 Compound NR0B2, NR0B1, NR4A1 TRPV1 3613/4885RAB9A 2176/4885NPC1 2474/4885

“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.