SCHEMBL8203892

SCHEMBL8203892

COc1cccc([C@@H](C)NCc2cccc(NC(=O)CN3CCCC3)c2)c1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.55
CASR P41180 5/20 0.55
ALDH1A1 P00352 3/20 0.53
TSHR P16473 2/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
GAA P10253 1/20 0.53
POLB P06746 2/20 0.52
HPGD P15428 1/20 0.52
DRD4 P21917 1/20 0.52
GFER P55789 1/20 0.49
KDM4E B2RXH2 1/20 0.48

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
SCHEMBL3960599 1.00 SMN1; SMN2 (0.55) SMN1; SMN2CASRALDH1A1TSHRMEN1
SCHEMBL3959310 0.78 POLB (0.53) SMN1; SMN2ALDH1A1MEN1KMT2APOLB
SCHEMBL8199395 0.78 POLB (0.53) SMN1; SMN2ALDH1A1MEN1KMT2APOLB
SCHEMBL3924558 0.77 CASR (0.69) SMN1; SMN2CASRTSHRMEN1KMT2A
SCHEMBL14074103 0.76 RAB9A (0.65) SMN1; SMN2CASRMEN1KMT2A
SCHEMBL4999715 0.76 RAB9A (0.65) SMN1; SMN2CASRMEN1KMT2A
SCHEMBL18626568 0.75 POLB (0.72) SMN1; SMN2ALDH1A1TSHRMEN1KMT2A
SCHEMBL3958894 0.75 SMN1; SMN2 (0.55) SMN1; SMN2ALDH1A1TSHRMEN1KMT2A
SCHEMBL14074104 0.74 SMN1; SMN2 (0.57) SMN1; SMN2CASRALDH1A1MEN1KMT2A
SCHEMBL3959597 0.73 CASR (0.67) CASRMEN1KMT2A

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 SMN1; SMN2 2433/4885CASR 1/4885ALDH1A1 3089/4885

“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.