SCHEMBL3324017

SCHEMBL3324017

Cc1nc2cc(NCC(=O)C34CC5CC(CC(C5)C3)C4)ccc2s1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.52
RAB9A P51151 7/20 0.45
NPC1 O15118 5/20 0.45
TRPV1 Q8NER1 2/20 0.45
CASP3 P42574 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
KMT2A Q03164 2/20 0.43
LMNA P02545 4/20 0.43
TP53 P04637 2/20 0.43
POLB P06746 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
CNR1 P21554 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CHRNA7 P36544 1/20 0.41
LDHA P00338 1/20 0.41

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
SCHEMBL13949544 0.89 RAB9A (0.42) P2RX7RAB9ANPC1TRPV1CASP3
SCHEMBL3319497 0.82 RAB9A (0.47) P2RX7RAB9ANPC1TRPV1CASP3
SCHEMBL3321360 0.80 P2RX7 (0.48) P2RX7RAB9ANPC1TRPV1CASP3
SCHEMBL3323465 0.80 P2RX7 (0.69) P2RX7RAB9ANPC1TRPV1CASP3
SCHEMBL3322776 0.77 PDE10A (0.45) P2RX7RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL3958695 0.77 EPHX2 (0.63) P2RX7RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL3320865 0.77 TRPV1 (0.57) RAB9ANPC1TRPV1CASP3SENP7
SCHEMBL13333350 0.76 P2RX7 (0.44) P2RX7RAB9ANPC1TRPV1CASP3
SCHEMBL5250626 0.72 P2RX7 (0.44) P2RX7RAB9ANPC1TRPV1CASP3
SCHEMBL12510067 0.72 KMT2A (0.59) RAB9ANPC1TRPV1CASP3SENP7

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
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

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 P2RX7 3719/4885RAB9A 2432/4885NPC1 1106/4885
US-20100120789-A1 Compound NR0B2, NR0B1, NR4A1 P2RX7 991/4885RAB9A 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.