SCHEMBL13333350

SCHEMBL13333350

Cc1nc2cc(N(C)CC(=O)C34CC5CC(CC(C5)C3)C4)ccc2s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.44
NPC1 O15118 4/20 0.43
ALDH1A1 P00352 3/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HSD17B10 Q99714 1/20 0.40
CNR1 P21554 1/20 0.38
HSD11B1 P28845 4/20 0.38
CHRNA7 P36544 1/20 0.36
HDAC4 P56524 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 2/20 0.35
GAA P10253 2/20 0.35
HTT P42858 1/20 0.35
DYRK3 O43781 1/20 0.35
CLK1 P49759 1/20 0.35
CLK2 P49760 1/20 0.35
DYRK1A Q13627 1/20 0.35
DYRK2 Q92630 1/20 0.35
CLK4 Q9HAZ1 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
SCHEMBL3322776 0.76 PDE10A (0.45) P2RX7NPC1RAB9ASMN1; SMN2HSD17B10
SCHEMBL3324017 0.76 P2RX7 (0.52) P2RX7NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL3321360 0.70 P2RX7 (0.48) P2RX7NPC1ALDH1A1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL6083803 0.70 P2RX7 (0.49) P2RX7ALDH1A1SMN1; SMN2HSD11B1LMNA
SCHEMBL4011584 0.70 RAB9A (0.56) NPC1ALDH1A1RAB9ASMN1; SMN2HSD17B10
SCHEMBL14485659 0.70 RAB9A (0.60) NPC1ALDH1A1RAB9ASMN1; SMN2HSD17B10
SCHEMBL3323465 0.70 P2RX7 (0.69) P2RX7NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL3255931 0.69 ALDH1A1 (0.58) NPC1ALDH1A1RAB9ASMN1; SMN2HSD17B10
SCHEMBL3958695 0.67 EPHX2 (0.63) P2RX7NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL13949544 0.67 RAB9A (0.42) P2RX7NPC1ALDH1A1RAB9ASMN1; SMN2

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-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

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 3719/4885NPC1 1106/4885ALDH1A1 437/4885
US-20100120789-A1 Compound NR0B2, NR0B1, NR4A1 P2RX7 991/4885NPC1 2474/4885ALDH1A1 3143/4885

“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.