SCHEMBL4159647

SCHEMBL4159647

Cc1cccc(C)c1C(=O)N1CCCC1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.61
HPGD P15428 8/20 0.59
NPC1 O15118 1/20 0.59
GLA P06280 1/20 0.59
HTT P42858 2/20 0.58
POLB P06746 1/20 0.54
ALDH1A1 P00352 3/20 0.53
PLA2G7 Q13093 1/20 0.53
TSHR P16473 2/20 0.51
KMT2A Q03164 3/20 0.50
CYP2C19 P33261 1/20 0.50
CCR5 P51681 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
MEN1 O00255 1/20 0.49

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
SCHEMBL21163104 0.98 HPGD (0.62) LMNAHPGDNPC1GLAHTT
SCHEMBL11717909 0.92 HTT (0.56) LMNAHPGDNPC1GLAHTT
SCHEMBL4163104 0.89 HPGD (0.55) LMNAHPGDNPC1GLAHTT
SCHEMBL24016897 0.88 HPGD (0.56) LMNAHPGDNPC1GLAHTT
SCHEMBL6367078 0.88 LMNA (0.53) LMNAHPGDNPC1GLAHTT
SCHEMBL4155346 0.88 HPGD (0.75) LMNAHPGDNPC1GLAHTT
SCHEMBL5100525 0.86 HTT (0.57) LMNAHPGDNPC1GLAHTT
SCHEMBL18801589 0.86 LMNA (0.75) LMNAHPGDNPC1GLAHTT
SCHEMBL30103438 0.86 LMNA (0.75) LMNAHPGDNPC1GLAHTT
SCHEMBL17502662 0.85 KDM4E (0.60) LMNAHPGDNPC1GLAHTT

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
EP-3594202-B1 SUBSTITUTED PYRROLIDINE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICALS CO (JP) 2021-08-11 EP disclosed
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 LMNA 4492/4885HPGD 272/4885NPC1 1327/4885
US-20070281959-A1 Glucocorticoid receptor modulator compounds and methods NR3C1, NR3C2, MC2R LMNA 4492/4885HPGD 272/4885NPC1 1327/4885

“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.