SCHEMBL3920969

SCHEMBL3920969

COc1ccc(CN[C@H](C)c2ccc(C)cc2)cc1-c1ncccn1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CASR P41180 9/20 0.52
SMN1; SMN2 Q16637 3/20 0.48
HTR7 P34969 2/20 0.45
HTR6 P50406 1/20 0.45
LMNA P02545 2/20 0.41
ADRB2 P07550 1/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL3935049 0.91 CASR (0.52) CASRHTR7LMNAKMT2AMEN1
SCHEMBL4070323 0.91 CASR (0.62) CASRSMN1; SMN2HTR7HTR6LMNA
SCHEMBL3920943 0.84 CASR (0.65) CASRLMNAKMT2AMEN1
SCHEMBL3924559 0.83 CASR (0.69) CASRSMN1; SMN2HTR7HTR6LMNA
SCHEMBL3924569 0.82 CASR (0.53) CASRSMN1; SMN2HTR7HTR6CYP3A4
SCHEMBL3925174 0.82 CASR (0.48) CASRSMN1; SMN2HTR7HTR6ALDH1A1
SCHEMBL3919272 0.82 CASR (0.48) CASRSMN1; SMN2HTR7HTR6ADRB2
SCHEMBL3925662 0.81 CASR (0.53) CASRSMN1; SMN2HTR7HTR6LMNA
SCHEMBL3923183 0.81 CASR (0.56) CASRSMN1; SMN2HTR7HTR6TAS1R3
SCHEMBL3924568 0.81 CASR (0.55) CASRSMN1; SMN2HTR7HTR6LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7524873-B2 Substituted N-phenylmethyl ethanamines; N-((6-(methyloxy)-4'-(trifluoromethyl)-1,1'-biphenyl-3-yl)methyl)-1-(1-naphthalenyl)ethanamine; parathyroid hormone inhibitors; antisecretory agents; osteoporosis AMGEN INC. (US) 2009-04-28 US disclosed
US-7524873-B2 Substituted N-phenylmethyl ethanamines; N-((6-(methyloxy)-4'-(trifluoromethyl)-1,1'-biphenyl-3-yl)methyl)-1-(1-naphthalenyl)ethanamine; parathyroid hormone inhibitors; antisecretory agents; osteoporosis AMGEN INC. (US) 2009-04-28 US disclosed
US-7524873-B2 Substituted N-phenylmethyl ethanamines; N-((6-(methyloxy)-4'-(trifluoromethyl)-1,1'-biphenyl-3-yl)methyl)-1-(1-naphthalenyl)ethanamine; parathyroid hormone inhibitors; antisecretory agents; osteoporosis AMGEN INC. (US) 2009-04-28 US disclosed
US-20070142381-A1 Calcium receptor modulating agents AMGEN INC. 2007-06-21 US disclosed
US-20070142381-A1 Calcium receptor modulating agents AMGEN INC. 2007-06-21 US disclosed
US-20070142381-A1 Calcium receptor modulating agents AMGEN INC. 2007-06-21 US disclosed
US-7196102-B2 Calcium receptor modulating agents AMGEN INC. (US) 2007-03-27 US disclosed
US-7196102-B2 Calcium receptor modulating agents AMGEN INC. (US) 2007-03-27 US disclosed
US-7196102-B2 Calcium receptor modulating agents AMGEN INC. (US) 2007-03-27 US disclosed
US-20050143426-A1 Osteoporosis, bone disorders, or diseases associated with excessive secretion of PTH, such as hyperparathyroidism; reduce or inhibit parathyroid hormone (PTH) secretion AMGEN INC. 2005-06-30 US disclosed
US-6908935-B2 Calcium receptor modulating agents AMGEN INC. (US) 2005-06-21 US disclosed
US-20040082625-A1 Calcium receptor modulating agents AMGEN INC. 2004-04-29 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 (3 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-20040082625-A1 Calcium receptor modulating agents PTH1R, CASR, CALCR CASR 2/4885SMN1; SMN2 4597/4885HTR7 1742/4885
US-20070142381-A1 Calcium receptor modulating agents PTH1R, CASR, CALCR CASR 2/4885SMN1; SMN2 4709/4885HTR7 1831/4885
US-20050143426-A1 Osteoporosis, bone disorders, or diseases associated with excessive secretion of PTH, such as hyperparathyroidism; reduce or inhibit parathyroid hormone (PTH) secretion PTH1R, PTMS, SOST CASR 24/4885SMN1; SMN2 4618/4885HTR7 3886/4885

“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.