SCHEMBL3324587

SCHEMBL3324587

Cc1cccc(NC(=O)C23CC4CC(CC(C4)C2)C3)n1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.58
ALDH1A1 P00352 1/20 0.58
CNR2 P34972 3/20 0.56
RAB9A P51151 4/20 0.55
GRM5 P41594 1/20 0.50
SMN1; SMN2 Q16637 4/20 0.49
NPC1 O15118 3/20 0.49
CNR1 P21554 1/20 0.49
HTT P42858 1/20 0.49
P2RX7 Q99572 1/20 0.49
MEN1 O00255 1/20 0.48
GBA1 P04062 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL2276927 0.87 SMN1; SMN2 (0.51) LMNAALDH1A1CNR2RAB9AGRM5
SCHEMBL2222573 0.87 RAB9A (0.48) LMNAALDH1A1CNR2RAB9AGRM5
SCHEMBL12516066 0.87 LMNA (0.46) LMNAALDH1A1CNR2RAB9AGRM5
SCHEMBL9960850 0.82 GRM5 (0.50) LMNAALDH1A1RAB9AGRM5SMN1; SMN2
SCHEMBL12516065 0.79 HSD11B1 (0.39) LMNAALDH1A1CNR2RAB9AGRM5
SCHEMBL6085762 0.76 NPC1 (0.57) LMNAALDH1A1CNR2RAB9ASMN1; SMN2
SCHEMBL2221951 0.76 GRM5 (0.73) CNR2GRM5P2RX7MEN1KMT2A
SCHEMBL30794648 0.76 GRM5 (0.73) CNR2GRM5P2RX7MEN1KMT2A
SCHEMBL3328525 0.76 SMN1; SMN2 (0.54) ALDH1A1RAB9AGRM5SMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL6086630 0.75 NPC1 (0.56) LMNAALDH1A1CNR2RAB9ASMN1; 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 LMNA 4234/4885ALDH1A1 437/4885CNR2 927/4885
US-20100120789-A1 Compound NR0B2, NR0B1, NR4A1 LMNA 4234/4885ALDH1A1 3143/4885CNR2 121/4885

“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.