SCHEMBL497698

SCHEMBL497698

O=C(O)N1CCO[C@@H](c2ccc(OCCCN3CCCC3)cc2)C1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 11/20 0.63
KCNH2 Q12809 5/20 0.63
KDM4E B2RXH2 6/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
ALDH1A1 P00352 3/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
POLB P06746 1/20 0.51
MAPT P10636 1/20 0.51
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
MAOB P27338 1/20 0.49

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
SCHEMBL497356 0.86 HRH3 (0.56) HRH3KCNH2KDM4ECYP3A4CYP2C9
SCHEMBL497233 0.85 HRH3 (0.43) HRH3KCNH2KDM4ESMN1; SMN2ALDH1A1
SCHEMBL3371664 0.78 NAAA (0.47) HRH3KCNH2KDM4ESMN1; SMN2ALDH1A1
SCHEMBL3372267 0.78 NAAA (0.47) HRH3KCNH2KDM4ESMN1; SMN2ALDH1A1
SCHEMBL28035300 0.75 ITGA4 (0.47) SMN1; SMN2ALDH1A1POLB
SCHEMBL4670410 0.75 HRH3 (0.73) HRH3KCNH2CYP3A4CYP2C9
SCHEMBL25319515 0.74 AKR1C3 (0.42) HRH3KDM4ESMN1; SMN2ALDH1A1CYP2C9
SCHEMBL27875627 0.74 USP30 (0.44) ALDH1A1
SCHEMBL3790233 0.74 USP30 (0.44) ALDH1A1
Hydrochloric Acid SCHEMBL497091 0.74 HRH3 (0.67) HRH3KCNH2CYP3A4CYP2C9

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
US-8106045-B2 2-morpholino-4-pyrimidone compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-01-31 US disclosed
EP-2266979-A1 2-morpholino-4-pyrimidone compounds Mitsubishi Tanabe Pharma Corporation (JP) 2010-12-29 EP disclosed
EP-2258701-A1 2-morpholino-4-pyrimidone compound Mitsubishi Tanabe Pharma Corporation (JP) 2010-12-08 EP disclosed
US-20090124618-A1 2-MORPHOLINO-4-PYRIMIDONE COMPOUND MITSUBISHI PHARMA CORPORATION (JP) 2009-05-14 US disclosed
EP-1789414-A1 2-MORPHOLINO-4-PYRIMIDONE COMPOUND Mitsubishi Pharma Corporation (JP) 2007-05-30 EP disclosed
WO-2006028290-A1 2-MORPHOLINO-4-PYRIMIDONE COMPOUND MITSUBISHI PHARMA CORPORATION (JP) 2006-03-16 WO 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-20090124618-A1 2-MORPHOLINO-4-PYRIMIDONE COMPOUND MAPT, PSEN1, PSEN2 HRH3 2173/4885KCNH2 901/4885KDM4E 2007/4885

“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.