SCHEMBL3923133

SCHEMBL3923133

CC(N)c1cccc2c1CCN2C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
NFKB1 P19838 1/20 0.38
PNMT P11086 1/20 0.38
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
GLA P06280 1/20 0.37
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 1/20 0.34
C5AR1 P21730 3/20 0.33
NOTUM Q6P988 3/20 0.32
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
ADRA1D P25100 1/20 0.32
ADRA1A P35348 1/20 0.32
ADRA1B P35368 1/20 0.32
MGLL Q99685 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL13868230 1.00 CYP2D6 (0.38) CYP2D6CYP1A2CYP3A4NFKB1PNMT
SCHEMBL16202644 0.86 HPGD (0.38) CYP2D6CYP1A2CYP3A4ALDH1A1LMNA
SCHEMBL16019534 0.76 TNKS (0.41) CYP1A2CYP3A4ALDH1A1LMNAC5AR1
SCHEMBL2484100 0.74 ADRA2C (0.44) CYP2D6CYP1A2CYP3A4NFKB1ALDH1A1
SCHEMBL256749 0.72 NOTUM (0.56) ALDH1A1NOTUMKDM4EGAAMAPT
SCHEMBL13462411 0.72 S1PR1 (0.37) CYP2D6ALDH1A1S1PR1S1PR3NOTUM
SCHEMBL18387680 0.71 UCHL1 (0.46) NOTUMADRA2AADRA2BADRA2CADRA1D
SCHEMBL25044260 0.71 KDM4E (0.35) CYP2D6ALDH1A1S1PR1S1PR3NOTUM
SCHEMBL2625776 0.71 NOTUM (0.57) CYP2D6ALDH1A1NOTUMADRA2AADRA2B
SCHEMBL2625772 0.71 NOTUM (0.57) CYP2D6NOTUMADRA2AADRA2BADRA2C

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 6 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-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-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 CYP2D6 4576/4885CYP1A2 4699/4885CYP3A4 4610/4885
US-20070142381-A1 Calcium receptor modulating agents PTH1R, CASR, CALCR CYP2D6 4672/4885CYP1A2 4768/4885CYP3A4 4719/4885
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 CYP2D6 4619/4885CYP1A2 4471/4885CYP3A4 4288/4885

“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.