SCHEMBL2218694

SCHEMBL2218694

COc1ccc([C@@H](C)NCc2c[nH]nc2-c2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.46
KMT2A Q03164 5/20 0.44
LMNA P02545 3/20 0.44
ALDH1A1 P00352 3/20 0.44
MITF O75030 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
CASR P41180 4/20 0.43
MEN1 O00255 3/20 0.42
PHGDH O43175 1/20 0.41
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
PDE2A O00408 1/20 0.40
KDM4E B2RXH2 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PTGER4 P35408 1/20 0.39
HCRTR1 O43613 3/20 0.39
HCRTR2 O43614 3/20 0.39

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
SCHEMBL2219196 0.90 MEN1 (0.51) KMT2ALMNAALDH1A1HTTCASR
SCHEMBL2217835 0.87 CASR (0.60) KMT2ALMNACASRMEN1OPRM1
SCHEMBL3654658 0.87 CASR (0.60) KMT2ALMNACASRMEN1OPRM1
SCHEMBL27298346 0.75 LTA4H (0.53) KMT2ALMNAALDH1A1MEN1KDM4E
SCHEMBL2218811 0.75 CASR (0.49) KMT2AALDH1A1HTTCASRMEN1
SCHEMBL23992068 0.74 CASR (0.70) PKMKMT2ALMNAALDH1A1MITF
SCHEMBL16186450 0.74 CASR (0.70) PKMKMT2ALMNAALDH1A1MITF
SCHEMBL12603184 0.74 CASR (0.70) PKMKMT2ALMNAALDH1A1MITF
SCHEMBL3655693 0.74 ALDH1A1 (0.53) PKMKMT2ALMNAALDH1A1MITF
SCHEMBL2218827 0.74 ALDH1A1 (0.53) PKMKMT2ALMNAALDH1A1MITF

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 10 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-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
US-20110178133-A1 CALCIUM RECEPTOR MODULATING AGENTS AMGEN INC. 2011-07-21 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-20110178133-A1 CALCIUM RECEPTOR MODULATING AGENTS CASR, CALCR, RYR1 PKM 3804/4885KMT2A 4757/4885LMNA 3719/4885

“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.