SCHEMBL4281399

SCHEMBL4281399

CC1CN(c2[c]nccc2)CC(C)O1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.45
ALDH1A1 P00352 7/20 0.40
KDM4E B2RXH2 5/20 0.40
MEN1 O00255 3/20 0.40
LMNA P02545 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
ATM Q13315 1/20 0.40
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TSHR P16473 2/20 0.40
GAA P10253 2/20 0.39
HTT P42858 1/20 0.39
MAPK1 P28482 2/20 0.38
HSD17B10 Q99714 2/20 0.38
NPC1 O15118 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
MAPT P10636 2/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL22530034 0.79 HRH4 (0.33) KMT2AMEN1TSHRCYP1A2
SCHEMBL14931331 0.79 PDE10A (0.32)
SCHEMBL17028427 0.78 PDE10A (0.37)
SCHEMBL22530355 0.75 CHRNB2 (0.51)
SCHEMBL4778592 0.74 ALDH1A1 (0.41) KMT2AALDH1A1KDM4EMEN1LMNA
SCHEMBL22530606 0.72 PRKCQ (0.41) ALDH1A1LMNAMAPT
SCHEMBL22530006 0.72
SCHEMBL22530367 0.72 SSTR5 (0.31)
SCHEMBL2067060 0.72 CHKA (0.34) ALDH1A1KDM4ETDP1HPGDTSHR
SCHEMBL918905 0.72 CHKA (0.39) ALDH1A1KDM4ELMNATDP1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2397462-A2 Compounds, compositions and methods of treatment for heart failure Cytokinetics, Inc. (US) 2011-12-21 EP disclosed
US-20090176307-A1 Compounds, Compositions and Methods CYTOKINETICS, INC. 2009-07-09 US disclosed
US-7491826-B2 Compounds, compositions and methods CYTOKINETICS, INC. (US) 2009-02-17 US disclosed
US-7399866-B2 Compounds, compositions, and methods CYTOKINETICS, INC. (US) 2008-07-15 US disclosed
US-20060241110-A1 Compounds, compositions, and methods CYTOKINETICS, INCORPORATED 2006-10-26 US disclosed
US-20050159416-A1 Compounds, compositions and methods CYTOKINETICS, INCORPORATED 2005-07-21 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 (2 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-20060241110-A1 Compounds, compositions, and methods TNNI3, TNNT2, TNNC1 KMT2A 4398/4885ALDH1A1 4359/4885KDM4E 2542/4885
US-20050159416-A1 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 KMT2A 4396/4885ALDH1A1 4381/4885KDM4E 2421/4885

“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.