SCHEMBL3921186

SCHEMBL3921186

COc1ccc(CN[C@H](C)c2cccc3ccccc23)cc1-c1cnccn1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 6/20 0.47
KRAS P01116 5/20 0.47
EGFR P00533 1/20 0.42
CASR P41180 6/20 0.41
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
PDE4B Q07343 2/20 0.39

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
SCHEMBL3922263 0.89 SOS1 (0.49) SOS1KRASEGFRCASR
SCHEMBL3920346 0.85 KRAS (0.44) SOS1KRASEGFRCASRROCK2
SCHEMBL3922348 0.85 PDE4B (0.50) SOS1KRASCASRROCK2ROCK1
SCHEMBL3924606 0.85 SOS1 (0.48) SOS1KRASEGFRCASRROCK2
SCHEMBL13868197 0.84 CASR (0.53) SOS1KRASEGFRCASRPDE4B
SCHEMBL3924191 0.84 CASR (0.57) EGFRCASR
SCHEMBL3931691 0.83 CASR (0.46) CASRROCK2ROCK1PDE4B
SCHEMBL3932170 0.83 SOS1 (0.45) SOS1KRASEGFRCASR
SCHEMBL3921344 0.83 SOS1 (0.44) SOS1KRASEGFRCASR
SCHEMBL13868582 0.83 SOS1 (0.41) SOS1KRASEGFRCASRROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6908935-B2 Calcium receptor modulating agents AMGEN INC. (US) 2005-06-21 US claimed
US-20040082625-A1 Calcium receptor modulating agents AMGEN INC. 2004-04-29 US claimed
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 SOS1 825/4885KRAS 1365/4885EGFR 619/4885
US-20070142381-A1 Calcium receptor modulating agents PTH1R, CASR, CALCR SOS1 1008/4885KRAS 1358/4885EGFR 628/4885
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 SOS1 563/4885KRAS 2546/4885EGFR 1698/4885

“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.