SCHEMBL8199831

SCHEMBL8199831

Cc1ccc([C@@H](C)NCc2cccc(NC(=O)c3cc(C)on3)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.56
RAB9A P51151 7/20 0.56
TP53 P04637 5/20 0.56
ALDH1A1 P00352 3/20 0.56
GLA P06280 1/20 0.56
HTT P42858 1/20 0.56
SMN1; SMN2 Q16637 9/20 0.55
USP2 O75604 1/20 0.55
NFKB1 P19838 2/20 0.49
NFKB2 Q00653 2/20 0.49
RELA Q04206 2/20 0.49
HSD17B10 Q99714 1/20 0.48
CYP1A2 P05177 2/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
MAPT P10636 1/20 0.46
CACNA1B Q00975 1/20 0.46
APBA1 Q02410 1/20 0.46
ACKR3 P25106 1/20 0.46
MAPK1 P28482 1/20 0.46

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
SCHEMBL8199152 0.93 SMN1; SMN2 (0.56) NPC1RAB9ATP53ALDH1A1GLA
SCHEMBL4999755 0.93 SMN1; SMN2 (0.56) NPC1RAB9ATP53ALDH1A1GLA
SCHEMBL14074104 0.85 SMN1; SMN2 (0.57) NPC1RAB9ATP53ALDH1A1SMN1; SMN2
SCHEMBL8199175 0.82 SMN1; SMN2 (0.51) NPC1RAB9ATP53ALDH1A1GLA
SCHEMBL21348466 0.78 SMN1; SMN2 (0.73) NPC1RAB9ATP53ALDH1A1GLA
SCHEMBL8267163 0.76 SMN1; SMN2 (0.88) NPC1RAB9ATP53ALDH1A1GLA
SCHEMBL3879023 0.76 NPC1 (0.52) NPC1RAB9ATP53ALDH1A1HTT
SCHEMBL313138 0.76 NPC1 (0.52) NPC1RAB9ATP53ALDH1A1HTT
SCHEMBL21695725 0.76 SMN1; SMN2 (0.69) NPC1RAB9ATP53ALDH1A1GLA
SCHEMBL10192041 0.75 SMN1; SMN2 (0.76) NPC1RAB9ATP53ALDH1A1GLA

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-8349831-B2 Osteoporosis, bone disorders, or diseases associated with excessive secretion of PTH, such as hyperparathyroidism; reduce or inhibit parathyroid hormone (PTH) secretion AMGEN INC. (US) 2013-01-08 US disclosed
US-8349831-B2 Osteoporosis, bone disorders, or diseases associated with excessive secretion of PTH, such as hyperparathyroidism; reduce or inhibit parathyroid hormone (PTH) secretion AMGEN INC. (US) 2013-01-08 US disclosed
US-20080221101-A1 Calcium receptor modulating agents AMGEN INC. (US) 2008-09-11 US disclosed
US-20080221101-A1 Calcium receptor modulating agents AMGEN INC. (US) 2008-09-11 US disclosed
WO-2008057282-A1 CALCIUM RECEPTOR MODULATING AGENTS AMGEN INC. (US) 2008-05-15 WO 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 (1 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-20080221101-A1 Calcium receptor modulating agents CASR, RYR1, RYR2 NPC1 1243/4885RAB9A 1512/4885TP53 4253/4885

“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.