SCHEMBL4850432

SCHEMBL4850432

Oc1cc(CCc2ccccn2)n(-c2ccccc2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.41
ALDH1A1 P00352 5/20 0.40
MAPT P10636 2/20 0.40
HRH1 P35367 1/20 0.40
GAA P10253 1/20 0.40
HSP90AA1 P07900 1/20 0.40
LMNA P02545 2/20 0.40
TAAR1 Q96RJ0 1/20 0.40
ALOX15 P16050 1/20 0.40
CYP1A2 P05177 3/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
USP2 O75604 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
SCHEMBL23401034 0.79 USP2 (0.51) ALDH1A1GAALMNACYP1A2CYP2C19
SCHEMBL23403068 0.77 LMNA (0.48) ALDH1A1GAALMNACYP1A2CYP2C19
SCHEMBL23401114 0.76 CNR1 (0.48) ALDH1A1LMNAUSP2
SCHEMBL28187486 0.73 KDM4A (0.38) ALDH1A1GAALMNACYP1A2CYP2C19
SCHEMBL23402955 0.73 KCNH2 (0.52) ALDH1A1GAA
SCHEMBL4851223 0.72 FHIT (0.38) ALDH1A1GAALMNAMEN1KMT2A
SCHEMBL17361370 0.70 PTGS2 (0.49) ALDH1A1MAPTGAALMNAL3MBTL1
SCHEMBL230753 0.70 HRH1 (0.73) HRH3ALDH1A1MAPTHRH1LMNA
SCHEMBL29485678 0.70 HRH1 (0.73) HRH3ALDH1A1MAPTHRH1LMNA
SCHEMBL4843945 0.69 PDE4D (0.39) ALDH1A1MAPTGAALMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7368578-B2 Five-membered heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-06 US disclosed
US-20060135578-A1 Five-membered heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-06-22 US disclosed
EP-1541564-A1 FIVE-MEMBERED HETEROCYCLIC COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2005-06-15 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-20060135578-A1 Five-membered heterocyclic compounds GPR119, OR10J3, CYP11B1 HRH3 1167/4885ALDH1A1 821/4885MAPT 4700/4885

“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.