SCHEMBL5033258

SCHEMBL5033258

NCCOc1cc(N)cc(OCCN)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
LTA4H P09960 2/20 0.43
PLA2G2A P14555 1/20 0.43
KDM4E B2RXH2 1/20 0.39
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
AKT1 P31749 2/20 0.36
CHUK O15111 1/20 0.36
DYRK3 O43781 1/20 0.36
ROCK2 O75116 1/20 0.36
RPS6KA5 O75582 1/20 0.36
PRKD3 O94806 1/20 0.36
MAP4K4 O95819 1/20 0.36
PIM1 P11309 1/20 0.36
PHKG2 P15735 1/20 0.36
PRKACA P17612 1/20 0.36
CLK2 P49760 1/20 0.36
PRKX P51817 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
SCHEMBL13411802 0.89 TAAR1 (0.59) TAAR1ALDH1A1LTA4HPLA2G2AKDM4E
SCHEMBL4355838 0.88 ALDH1A1 (0.48) TAAR1ALDH1A1MAPTTSHRAKT1
SCHEMBL10636078 0.78 ALDH1A1 (0.48) ALDH1A1MAPTTSHRSMN1; SMN2
SCHEMBL8908947 0.78 ALDH1A1 (0.52) TAAR1ALDH1A1LTA4HPLA2G2ASMN1; SMN2
SCHEMBL8195522 0.78 TAAR1 (0.48) TAAR1ALDH1A1MAPTLTA4HPLA2G2A
SCHEMBL11730467 0.78 TSHR (0.62) TAAR1ALDH1A1MAPTLTA4HPLA2G2A
SCHEMBL16447478 0.76 TAAR1 (0.44) TAAR1LTA4HPLA2G2AAKT1DYRK3
SCHEMBL7866458 0.75 TAAR1 (0.62) TAAR1ALDH1A1MAPTLTA4HPLA2G2A
SCHEMBL9107098 0.75 TAAR1 (0.70) TAAR1LTA4HPLA2G2AKDM4ETSHR
SCHEMBL23067933 0.73 TAAR1 (0.48) TAAR1LTA4HPLA2G2AKDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080213187-A1 NOVEL CASCADE POLYMER COMPLEXES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM EPIX PHARMACEUTICALS, INC. 2008-09-04 US claimed
US-20080213187-A1 NOVEL CASCADE POLYMER COMPLEXES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM EPIX PHARMACEUTICALS, INC. 2008-09-04 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-20080213187-A1 NOVEL CASCADE POLYMER COMPLEXES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PGF, F13A1, F11 TAAR1 4211/4885ALDH1A1 4573/4885MAPT 820/4885

“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.