SCHEMBL3922372

SCHEMBL3922372

COCNC(=O)c1cccc2cccnc12

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.56
NPC1 O15118 3/20 0.56
CASP3 P42574 1/20 0.56
SENP8 Q96LD8 1/20 0.56
SENP7 Q9BQF6 1/20 0.56
SENP6 Q9GZR1 1/20 0.56
MEN1 O00255 5/20 0.55
KMT2A Q03164 5/20 0.55
PARP1 P09874 1/20 0.53
EGLN1 Q9GZT9 5/20 0.50
HDAC8 Q9BY41 1/20 0.50
ALDH1A1 P00352 2/20 0.49
KDR P35968 1/20 0.49
DGAT2 Q96PD7 1/20 0.48
CNR1 P21554 1/20 0.47
CNR2 P34972 1/20 0.47
POLB P06746 1/20 0.47

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
SCHEMBL22750329 0.87 MEN1 (0.60) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL110552 0.82 PARP1 (0.67) RAB9ANPC1CASP3SENP8SENP7
Hydrochloric Acid SCHEMBL4062177 0.79 PARP1 (0.59) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL7382937 0.79 EGLN1 (0.74) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL10245917 0.79 TSHR (0.60) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL8402853 0.79 NPC1 (0.64) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL344528 0.79 ALDH1A1 (0.65) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL2639696 0.78 NPC1 (0.63) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL2639699 0.78 NPC1 (0.63) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL4062161 0.78 PARP1 (0.62) RAB9ANPC1CASP3SENP8SENP7

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 RAB9A 1106/4885NPC1 2679/4885CASP3 4093/4885
US-20070142381-A1 Calcium receptor modulating agents PTH1R, CASR, CALCR RAB9A 963/4885NPC1 2793/4885CASP3 4010/4885
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 RAB9A 1355/4885NPC1 2850/4885CASP3 2610/4885

“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.