SCHEMBL497233

SCHEMBL497233

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.43
KCNH2 Q12809 2/20 0.43
GAA P10253 2/20 0.40
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
USP2 O75604 1/20 0.39
CNR2 P34972 1/20 0.38
USP30 Q70CQ3 2/20 0.38
POLB P06746 2/20 0.37
RAB9A P51151 2/20 0.37
KDM4E B2RXH2 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
S1PR1 P21453 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 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
SCHEMBL497698 0.85 HRH3 (0.63) HRH3KCNH2CYP3A4CYP2C9POLB
SCHEMBL497318 0.85 GPR119 (0.45) POLBRAB9A
SCHEMBL3372267 0.81 NAAA (0.47) HRH3KCNH2CNR2RAB9AKDM4E
SCHEMBL3371664 0.81 NAAA (0.47) HRH3KCNH2CNR2RAB9AKDM4E
SCHEMBL3372111 0.78 USP30 (0.44) GAACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL502854 0.78 USP30 (0.44) GAACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL3374956 0.78 USP30 (0.44) GAACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL28035300 0.77 ITGA4 (0.47) CNR2POLBSMN1; SMN2S1PR1ALDH1A1
SCHEMBL27875627 0.76 USP30 (0.44) GAAUSP30ALDH1A1
SCHEMBL3790233 0.76 USP30 (0.44) GAAUSP30ALDH1A1

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 901/4885GAA 1671/4885

“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.