SCHEMBL8192497

SCHEMBL8192497

CC(N[C@H](C)c1cccc(Cl)c1)c1ccc(Cl)c(Br)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASR P41180 5/20 0.46
▸ COASY Q13057 1/20 0.38
▸ PGR P06401 1/20 0.35
▸ ADRB2 P07550 2/20 0.35
▸ ADRB1 P08588 1/20 0.35
▸ ADRB3 P13945 1/20 0.35
▸ SLC6A4 P31645 4/20 0.34
▸ CYP3A4 P08684 3/20 0.34
▸ CYP2D6 P10635 3/20 0.34
▸ SLC6A2 P23975 3/20 0.34
▸ SLC6A3 Q01959 3/20 0.34
▸ ABL1 P00519 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ S1PR1 P21453 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ SLC2A1 P11166 1/20 0.34
▸ ROCK2 O75116 1/20 0.34

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
SCHEMBL3963876 1.00 CASR (0.46) CASRCOASYPGRADRB2ADRB1
SCHEMBL5002915 0.81 CASR (0.44) CASRCOASYPGRADRB2ALDH1A1
SCHEMBL8200300 0.81 CASR (0.44) CASRCOASYPGRADRB2ALDH1A1
SCHEMBL25627915 0.78 CASR (0.48) CASRCOASYADRB2ADRB1ADRB3
SCHEMBL3963877 0.76 TAAR1 (0.49) CASRCYP2D6ALDH1A1SMN1; SMN2SLC2A1
SCHEMBL3961411 0.76 ALDH1A1 (0.54) ALDH1A1LMNASMN1; SMN2ROCK2
SCHEMBL4999780 0.76 ALDH1A1 (0.54) ALDH1A1LMNASMN1; SMN2ROCK2
SCHEMBL11635139 0.75 ALDH1A1 (0.38) ADRB2SLC6A4CYP3A4CYP2D6SLC6A2
SCHEMBL14044305 0.75 CASR (0.46) CASRCOASYPGRADRB2ADRB1
SCHEMBL15247597 0.74 COASY (0.46) CASRCOASYPGRADRB2ADRB1

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 1/4885COASY 4238/4885PGR 917/4885

“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.

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