SCHEMBL541312

SCHEMBL541312

C[C@@H](NCc1ccc2c(c1)ncn2C)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.53
RAB9A P51151 5/20 0.53
POLB P06746 2/20 0.53
SMN1; SMN2 Q16637 3/20 0.49
KMT2A Q03164 5/20 0.47
GAA P10253 4/20 0.47
KDM4E B2RXH2 4/20 0.47
MEN1 O00255 3/20 0.47
ALDH1A1 P00352 3/20 0.47
HSD17B10 Q99714 2/20 0.47
LMNA P02545 2/20 0.47
HTT P42858 2/20 0.47
HPGD P15428 2/20 0.47
ALOX15 P16050 1/20 0.47
GFER P55789 2/20 0.46
GRM5 P41594 1/20 0.46
MAPT P10636 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
SHMT2 P34897 1/20 0.42
CASR P41180 3/20 0.42

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
SCHEMBL541313 1.00 NPC1 (0.53) NPC1RAB9APOLBSMN1; SMN2KMT2A
SCHEMBL13880014 0.84 CASR (0.59) NPC1RAB9APOLBKMT2AGAA
SCHEMBL3925473 0.84 CASR (0.59) NPC1RAB9APOLBKMT2AGAA
SCHEMBL541436 0.81 CASR (0.46) NPC1RAB9APOLBSMN1; SMN2KMT2A
SCHEMBL541437 0.81 CASR (0.46) NPC1RAB9APOLBSMN1; SMN2KMT2A
SCHEMBL13879976 0.75 CASR (0.61) NPC1RAB9APOLBSMN1; SMN2KMT2A
SCHEMBL3928645 0.75 CASR (0.61) NPC1RAB9APOLBSMN1; SMN2KMT2A
SCHEMBL12953805 0.75 NPC1 (0.58) NPC1RAB9APOLBSMN1; SMN2KMT2A
SCHEMBL14469578 0.73 SMN1; SMN2 (0.82) POLBSMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL3955288 0.73 LCK (0.45) SMN1; SMN2KMT2AKDM4EMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1509518-B1 CALCIUM RECEPTOR MODULATING AGENTS AMGEN INC (US) 2012-02-08 EP disclosed
US-7176322-B2 Calcium receptor modulating agents AMGEN INC. (US) 2007-02-13 US disclosed
US-7176322-B2 Calcium receptor modulating agents AMGEN INC. (US) 2007-02-13 US disclosed
US-7176322-B2 Calcium receptor modulating agents AMGEN INC. (US) 2007-02-13 US disclosed
US-20040077619-A1 Calcium receptor modulating agents AMGEN INC. 2004-04-22 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 (1 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-20040077619-A1 Calcium receptor modulating agents PTH1R, CASR, CALCR NPC1 2679/4885RAB9A 1106/4885POLB 4748/4885

“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.