SCHEMBL4163752

SCHEMBL4163752

O=C(c1[c]ccc(F)c1)N1CCCC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 3/20 0.45
POLB P06746 2/20 0.44
HPGD P15428 7/20 0.43
ALDH1A1 P00352 2/20 0.43
NPC1 O15118 2/20 0.41
HTT P42858 2/20 0.41
RAB9A P51151 2/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
USP2 O75604 1/20 0.41
TSHR P16473 1/20 0.40
NOD2 Q9HC29 1/20 0.40

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
SCHEMBL4154957 0.98 SMN1; SMN2 (0.46) SMN1; SMN2LMNAPOLBHPGDALDH1A1
SCHEMBL4157341 0.86 MAPT (0.47) SMN1; SMN2LMNAHPGDNPC1RAB9A
SCHEMBL4156660 0.86 MEN1 (0.50) SMN1; SMN2LMNAPOLBHPGDTP53
SCHEMBL10399266 0.80 HPGD (0.51) SMN1; SMN2POLBHPGDALDH1A1NPC1
SCHEMBL10388494 0.79 HPGD (0.51) SMN1; SMN2LMNAPOLBHPGDALDH1A1
SCHEMBL10388311 0.79 NPC1 (0.47) HPGDALDH1A1NPC1RAB9ATP53
SCHEMBL10399327 0.75 HPGD (0.42) HPGDALDH1A1NPC1HTTTSHR
SCHEMBL969710 0.74 HPGD (0.52) LMNAHPGDALDH1A1NPC1HTT
SCHEMBL424048 0.73 HPGD (0.52) SMN1; SMN2LMNAPOLBHPGDALDH1A1
SCHEMBL28241327 0.73 SCN9A (0.37) HPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090105292-A9 Glucocorticoid Receptor Modulator Compounds and Methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2009-04-23 US disclosed
US-20070281959-A1 Glucocorticoid receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2007-12-06 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-20090105292-A9 Glucocorticoid Receptor Modulator Compounds and Methods NR3C1, NR3C2, MC2R SMN1; SMN2 4602/4885LMNA 4492/4885POLB 3867/4885
US-20070281959-A1 Glucocorticoid receptor modulator compounds and methods NR3C1, NR3C2, MC2R SMN1; SMN2 4602/4885LMNA 4492/4885POLB 3867/4885

“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.