SCHEMBL1638581

SCHEMBL1638581

CCCN(CCC)CCCCc1nc2ccc(CN3C(=O)c4ccccc4C3=O)cc2n1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.45
PABPC1 P11940 1/20 0.45
ALOX15 P16050 1/20 0.45
DRD3 P35462 2/20 0.42
TSHR P16473 2/20 0.41
PTK2B Q14289 1/20 0.41
MAPT P10636 3/20 0.41
GLA P06280 1/20 0.41
MAOB P27338 3/20 0.40
BCHE P06276 2/20 0.40
ACHE P22303 2/20 0.40
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL1205005 0.90 TSHR (0.42) MAPK1PABPC1ALOX15DRD3TSHR
SCHEMBL1206144 0.80 DRD3 (0.50) MAPK1PABPC1ALOX15DRD3TSHR
SCHEMBL1638170 0.80 MAPT (0.40) DRD3TSHRMAPTKDM4EGAA
SCHEMBL1637212 0.80 MAPT (0.45) MAPTGAASMN1; SMN2
SCHEMBL1206411 0.77 BCHE (0.52) MAPK1PABPC1ALOX15DRD3TSHR
SCHEMBL1638389 0.73 DRD3 (0.45) MAPK1PABPC1ALOX15DRD3TSHR
SCHEMBL1637181 0.71 KDM4E (0.42) KDM4EALDH1A1SMN1; SMN2
SCHEMBL1206862 0.70 AGTR1 (0.41) MAPTALDH1A1PPARG
SCHEMBL1206017 0.70 AGTR1 (0.39) MAPT
SCHEMBL1205373 0.69 ACHE (0.53) DRD3ACHE

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-1724263-B1 BASIC AMINE COMPOUND AND USE THEREOF KUREHA CORP (JP) 2014-03-05 EP disclosed
US-20110172212-A1 AMINE-BASED COMPOUND AND USE THEREOF KUREHA CORPORATION (JP) 2011-07-14 US disclosed
US-7932281-B2 Amine-based compound and use thereof KUREHA CORPORATION (JP) 2011-04-26 US disclosed
US-20070208007-A1 Amine-Based Compound and Use Thereof KUREHA CORPORATION (JP) 2007-09-06 US disclosed
EP-1724263-A1 BASIC AMINE COMPOUND AND USE THEREOF Kureha Corporation (JP) 2006-11-22 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 (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-20110172212-A1 AMINE-BASED COMPOUND AND USE THEREOF NR0B2, NR5A2, NR1D2 MAPK1 1574/4885PABPC1 2891/4885ALOX15 1590/4885
US-20070208007-A1 Amine-Based Compound and Use Thereof NR0B2, NR5A2, NR2E1 MAPK1 917/4885PABPC1 2649/4885ALOX15 1293/4885

“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.