SCHEMBL4999769

SCHEMBL4999769

COc1ccc([C@@H](C)NCc2cccc(OCCOc3ccccc3)c2)cc1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CASR P41180 8/20 0.62
SLC2A1 P11166 1/20 0.51
BCHE P06276 3/20 0.49
ALDH1A1 P00352 2/20 0.49
HTT P42858 2/20 0.49
KDM4E B2RXH2 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KMT2A Q03164 3/20 0.48
MEN1 O00255 1/20 0.48
GAA P10253 1/20 0.47
PKM P14618 1/20 0.47
MITF O75030 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL3957972 0.91 CASR (0.62) CASRBCHESMN1; SMN2KMT2AMEN1
SCHEMBL8204776 0.91 CASR (0.62) CASRBCHESMN1; SMN2KMT2AMEN1
SCHEMBL5267631 0.90 CASR (0.62) CASRBCHEALDH1A1HTTKDM4E
SCHEMBL23992068 0.84 CASR (0.70) CASRALDH1A1HTTSMN1; SMN2KMT2A
SCHEMBL12603184 0.84 CASR (0.70) CASRALDH1A1HTTSMN1; SMN2KMT2A
SCHEMBL16186450 0.84 CASR (0.70) CASRALDH1A1HTTSMN1; SMN2KMT2A
SCHEMBL1032688 0.81 CASR (0.56) CASRBCHESMN1; SMN2KMT2AMEN1
SCHEMBL5267369 0.81 BCHE (0.60) CASRBCHESMN1; SMN2KMT2AMEN1
SCHEMBL3922716 0.81 CASR (0.81) CASRALDH1A1KDM4EKMT2AMEN1
SCHEMBL5267428 0.80 MEN1 (0.70) CASRBCHEALDH1A1KDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080221101-A1 Calcium receptor modulating agents AMGEN INC. (US) 2008-09-11 US claimed
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-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
US-20080221101-A1 Calcium receptor modulating agents AMGEN INC. (US) 2008-09-11 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 (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 1/4885SLC2A1 1734/4885BCHE 3385/4885

“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.