SCHEMBL292596

SCHEMBL292596

COc1cccc(N2CC(C)(C)NCC2=O)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
MGLL Q99685 1/20 0.44
POLB P06746 1/20 0.44
MAPK1 P28482 1/20 0.44
BLM P54132 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CTSG P08311 1/20 0.43
CMA1 P23946 1/20 0.43
ALOX5 P09917 1/20 0.43
ADRB1 P08588 1/20 0.42
ALKBH5 Q6P6C2 1/20 0.42
CYP1A2 P05177 1/20 0.42
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
NTRK1 P04629 1/20 0.40
IGF1R P08069 1/20 0.40
FGFR1 P11362 1/20 0.40
NTRK2 Q16620 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL291532 0.83 KMT2A (0.50) MAPTMGLLCTSGCMA1ALOX5
SCHEMBL291894 0.82 MAPT (0.43) MAPTPOLBTDP1ADRB1CYP1A2
SCHEMBL291850 0.82 OPRM1 (0.49) MAPTMGLLPOLBALOX5
SCHEMBL292465 0.77 FFAR4 (0.39)
SCHEMBL28970967 0.74 MAPT (0.52) MAPTMGLLCTSGCMA1ALOX5
SCHEMBL1663489 0.74 ADRB1 (0.59) MAPTMGLLCTSGCMA1ALOX5
SCHEMBL30357056 0.74 MAPT (0.52) MAPTMGLLCTSGCMA1ALOX5
SCHEMBL292189 0.73 ALDH1A1 (0.48) MAPTMGLLPOLBMAPK1ADRB1
Hydrochloric Acid SCHEMBL1584087 0.73 ADRB1 (0.57) MAPTMGLLCTSGCMA1ALOX5
SCHEMBL25366082 0.72 ALOX5 (0.55) MAPTMGLLTDP1CTSGCMA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8158790-B2 Cyclic amine compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-04-17 US disclosed
EP-2036896-B1 CYCLIC AMINE COMPOUND DAIICHI SANKYO CO LTD (JP) 2012-03-14 EP disclosed
US-20090286807-A1 CYCLIC AMINE COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-11-19 US disclosed
EP-2036896-A1 CYCLIC AMINE COMPOUND Daiichi Sankyo Company, Limited (JP) 2009-03-18 EP 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-20090286807-A1 CYCLIC AMINE COMPOUND HRH3, HRH4, H1-0 MAPT 4585/4885MGLL 1045/4885POLB 2263/4885

“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.