SCHEMBL3926166

SCHEMBL3926166

CC(N)c1cccc2c1ccn2C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.46
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
RHEB Q15382 1/20 0.42
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
NFKB1 P19838 1/20 0.40
ASH1L Q9NR48 1/20 0.40
IDO1 P14902 1/20 0.40
PNMT P11086 1/20 0.40
HTR2C P28335 3/20 0.39
HTR2A P28223 2/20 0.39
LMNA P02545 1/20 0.39
GLA P06280 1/20 0.39
HSD11B1 P28845 4/20 0.39
TRPV3 Q8NET8 1/20 0.36
DHFR P00374 1/20 0.35

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
SCHEMBL13868225 1.00 NQO2 (0.46) NQO2ALDH1A1KDM4EMAPTRXFP1
SCHEMBL30238680 1.00 NQO2 (0.46) NQO2ALDH1A1KDM4EMAPTRXFP1
SCHEMBL28456100 1.00 NQO2 (0.46) NQO2ALDH1A1KDM4EMAPTRXFP1
SCHEMBL2737345 0.85 NQO2 (0.48) NQO2ALDH1A1KDM4EMAPTRXFP1
SCHEMBL3922552 0.81 NQO2 (0.46) NQO2ALDH1A1KDM4EMAPTRXFP1
SCHEMBL13868223 0.81 NQO2 (0.46) NQO2ALDH1A1KDM4EMAPTRXFP1
SCHEMBL6764470 0.79 RHEB (0.44) NQO2ALDH1A1KDM4EMAPTRXFP1
SCHEMBL27429030 0.77 NQO2 (0.42) NQO2ALDH1A1KDM4EMAPTRXFP1
SCHEMBL27429031 0.77 NQO2 (0.42) NQO2ALDH1A1KDM4EMAPTRXFP1
SCHEMBL3374595 0.76 SLC6A2 (0.45) NQO2IDO1PNMTHSD11B1TRPV3

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 8 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
EP-1509497-A1 CALCIUM RECEPTOR MODULATING ARYLALKYLAMINES Amgen Inc. (US) 2005-03-02 EP disclosed
US-20040082625-A1 Calcium receptor modulating agents AMGEN INC. 2004-04-29 US disclosed
WO-2003099776-A1 CALCIUM RECEPTOR MODULATING ARYLALKYLAMINES AMGEN INC. (US) 2003-12-04 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 (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 NQO2 3042/4885ALDH1A1 4611/4885KDM4E 3394/4885
US-20070142381-A1 Calcium receptor modulating agents PTH1R, CASR, CALCR NQO2 3126/4885ALDH1A1 4712/4885KDM4E 3448/4885
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 NQO2 2664/4885ALDH1A1 4417/4885KDM4E 3290/4885

“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.