SCHEMBL4287375

SCHEMBL4287375

O=C(O)N1CCN(C(=O)O)[C@H](CCOc2ccc3c(c2)OCO3)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.50
NPC1 O15118 2/20 0.50
FKBP1A P62942 1/20 0.48
DRD2 P14416 2/20 0.48
DRD3 P35462 2/20 0.48
TSHR P16473 2/20 0.47
MAOB P27338 6/20 0.47
MAOA P21397 2/20 0.44
FAAH O00519 2/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP2C19 P33261 1/20 0.43
POLB P06746 1/20 0.42

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
SCHEMBL4287271 0.84 TSHR (0.42) RAB9ANPC1FKBP1ATSHRMAOB
SCHEMBL4289861 0.84 TSHR (0.42) RAB9ANPC1DRD2TSHRMAOB
SCHEMBL4290172 0.81 GPR183 (0.46) RAB9ANPC1FKBP1ADRD2DRD3
SCHEMBL4288979 0.81 GPR183 (0.47) RAB9ANPC1DRD3MAPTMEN1
SCHEMBL4287834 0.81 KDM4E (0.41) NPC1MEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL3494366 0.80 TEAD1 (0.50) RAB9ANPC1TSHRMAPTMEN1
SCHEMBL4282146 0.80 FKBP1A (0.47) RAB9ANPC1FKBP1ADRD2DRD3
SCHEMBL4281940 0.79 KCNA5 (0.46) RAB9AMEN1KMT2AALDH1A1LMNA
SCHEMBL4281983 0.79 L3MBTL1 (0.48) TSHRMAPTMEN1KMT2ATDP1
SCHEMBL4286026 0.79 HPGD (0.49) DRD2DRD3MAPTKMT2APOLB

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-20090227560-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 US disclosed
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 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 (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-20090156612-A1 Substituted imidazole compound and use thereof REN, ACE, AGT RAB9A 1247/4885NPC1 1165/4885FKBP1A 1906/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT RAB9A 1247/4885NPC1 1165/4885FKBP1A 1906/4885

“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.