SCHEMBL2218654

SCHEMBL2218654

C[C@@H](NCc1c[nH]c(-c2ccccc2)n1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
CASR P41180 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.43
HTT P42858 3/20 0.41
CYP3A4 P08684 2/20 0.41
LMNA P02545 2/20 0.41
CHRM2 P08172 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
CHRM1 P11229 1/20 0.41
SMPD1 P17405 1/20 0.41
DRD1 P21728 1/20 0.41
TBXA2R P21731 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
ADRA1A P35348 1/20 0.41
OPRM1 P35372 1/20 0.41
DRD3 P35462 1/20 0.41

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
SCHEMBL2219867 0.86 CASR (0.59) CASRHTR1ASLC6A2OPRM1DRD3
SCHEMBL2217426 0.82 CASR (0.50) CASRHTTHTR1AADRA2AADORA3
Hydrochloric Acid SCHEMBL2837888 0.77 KDM4E (0.41) MEN1KMT2ASMN1; SMN2HTTCYP3A4
SCHEMBL13384263 0.75 ADORA3 (0.38) MEN1KMT2ASMN1; SMN2HTTADORA3
SCHEMBL14469653 0.75 CASR (0.56) MEN1KMT2ACASRSMN1; SMN2HTT
SCHEMBL2780530 0.74 POLB (0.41) MEN1KMT2ASMN1; SMN2ADORA3CYP1A2
SCHEMBL17622 0.72 CXCR2 (0.42) MEN1KMT2ASMN1; SMN2HTTALDH1A1
SCHEMBL2217384 0.71 HPGD (0.56) CASRSMN1; SMN2HTTLMNADRD3
SCHEMBL3657245 0.71 HPGD (0.56) CASRSMN1; SMN2HTTLMNADRD3
SCHEMBL672597 0.71 NOTUM (0.42) MEN1KMT2ACYP1A2CYP2C19ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8334317-B2 Calcium receptor modulating agents AMGEN INC. (US) 2012-12-18 US claimed
US-20110178133-A1 CALCIUM RECEPTOR MODULATING AGENTS AMGEN INC. 2011-07-21 US claimed
EP-2212284-B1 CALCIUM RECEPTOR MODULATING AGENTS AMGEN INC (US) 2014-04-30 EP disclosed
EP-2212284-B1 CALCIUM RECEPTOR MODULATING AGENTS AMGEN INC (US) 2014-04-30 EP disclosed
US-8334317-B2 Calcium receptor modulating agents AMGEN INC. (US) 2012-12-18 US disclosed
US-8334317-B2 Calcium receptor modulating agents AMGEN INC. (US) 2012-12-18 US disclosed
US-20110178133-A1 CALCIUM RECEPTOR MODULATING AGENTS AMGEN INC. 2011-07-21 US disclosed
US-20110178133-A1 CALCIUM RECEPTOR MODULATING AGENTS AMGEN INC. 2011-07-21 US disclosed
WO-2009051718-A2 CALCIUM RECEPTOR MODULATING AGENTS AMGEN INC. (US) 2009-04-23 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 (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-20110178133-A1 CALCIUM RECEPTOR MODULATING AGENTS CASR, CALCR, RYR1 MEN1 2708/4885KMT2A 4757/4885CASR 1/4885

“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.