SCHEMBL4282146

SCHEMBL4282146

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 1/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
TSHR P16473 3/20 0.46
MAOB P27338 6/20 0.46
DRD2 P14416 2/20 0.45
DRD3 P35462 2/20 0.45
MAOA P21397 2/20 0.44
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
MAPT P10636 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP2C19 P33261 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL4973671 0.89 FKBP1A (0.49) FKBP1ANPC1RAB9ATSHRMAOB
SCHEMBL4291445 0.85 TSHR (0.41) FKBP1ANPC1RAB9ATSHRMAOB
Hydrochloric Acid SCHEMBL4289106 0.84 TSHR (0.41) TSHRMAOBDRD2
SCHEMBL4281703 0.81 RAB9A (0.44) FKBP1ANPC1RAB9ADRD2DRD3
SCHEMBL4752778 0.81 RAB9A (0.44) FKBP1ANPC1RAB9ADRD2DRD3
SCHEMBL4294977 0.81 NPC1 (0.45) NPC1RAB9ADRD3MAPTMAPK1
SCHEMBL3493396 0.81 TEAD1 (0.46) NPC1RAB9ATSHRMEN1KMT2A
SCHEMBL4290342 0.80 KDM4E (0.39) NPC1MEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL4282373 0.80 L3MBTL1 (0.47) TSHRMEN1KMT2AMAPTCYP1A2
SCHEMBL4751897 0.80 L3MBTL1 (0.47) TSHRMEN1KMT2AMAPTCYP1A2

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 FKBP1A 1906/4885NPC1 1165/4885RAB9A 1247/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT FKBP1A 1906/4885NPC1 1165/4885RAB9A 1247/4885

“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.