SCHEMBL8200312

SCHEMBL8200312

COc1cccc([C@@H](C)NCc2cccc(OCc3ccccn3)c2)c1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CASR P41180 11/20 0.65
HTR5A P47898 1/20 0.56
ABCB1 P08183 1/20 0.53
HTR1A P08908 1/20 0.53
DRD2 P14416 1/20 0.53
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
ALDH1A1 P00352 1/20 0.51
BCHE P06276 2/20 0.46
MAOB P27338 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SYK P43405 1/20 0.43

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
SCHEMBL4993611 1.00 CASR (0.65) CASRHTR5AABCB1HTR1ADRD2
SCHEMBL2458679 0.86 CASR (0.65) CASRHTR5AHTR1AMEN1KMT2A
SCHEMBL3926119 0.81 CASR (0.68) CASRHTR5AHTR1ANPC1RAB9A
SCHEMBL3962711 0.80 HTR5A (0.55) CASRHTR5AABCB1HTR1ADRD2
SCHEMBL8199702 0.80 HTR5A (0.55) CASRHTR5AABCB1HTR1ADRD2
SCHEMBL15130965 0.79 CASR (0.82) CASRHTR5AHTR1AMEN1KMT2A
SCHEMBL13868194 0.79 CASR (0.62) CASRHTR5AHTR1A
SCHEMBL791890 0.78 FFAR1 (0.61) ABCB1HTR1ADRD2MAOBNPC1
SCHEMBL5267428 0.77 MEN1 (0.70) CASRMEN1KMT2AALDH1A1BCHE
SCHEMBL5267733 0.77 MEN1 (0.70) CASRMEN1KMT2AALDH1A1BCHE

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 CASR 1/4885HTR5A 397/4885ABCB1 1568/4885

“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.