SCHEMBL287686

SCHEMBL287686

O=C(O)N1CCc2cc(SCCO)ccc21

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
MAPT P10636 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
NOTUM Q6P988 5/20 0.41
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
LMNA P02545 3/20 0.40
GLA P06280 1/20 0.40
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
TSHR P16473 1/20 0.37
TP53 P04637 2/20 0.37
THRB P10828 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL288833 0.81 DHODH (0.47) ALDH1A1NOTUMDRD2DRD4
SCHEMBL8527554 0.73 NOTUM (0.62) ALDH1A1MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL853846 0.71 PDK1 (0.50) ALDH1A1MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL288802 0.71 SLC22A12 (0.59) ALDH1A1NPC1NOTUMLMNA
SCHEMBL3971068 0.71 NOTUM (0.73) MAPTSMN1; SMN2RAB9ANPC1NOTUM
SCHEMBL7981548 0.71 NOTUM (0.73) ALDH1A1MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL15690093 0.71 NOTUM (0.49) ALDH1A1MAPTSMN1; SMN2NOTUMLMNA
SCHEMBL31647180 0.70 NOTUM (0.56) ALDH1A1MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL8528919 0.69 NOTUM (0.67) ALDH1A1MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL28693772 0.69 NOTUM (0.54) ALDH1A1MAPTSMN1; SMN2RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2427450-A1 GPR 119 MODULATORS Pfizer Inc. (US) 2012-03-14 EP disclosed
EP-2427448-A1 Gpr 119 modulators Pfizer Inc. (US) 2012-03-14 EP disclosed
WO-2010128425-A1 GPR 119 MODULATORS PFIZER INC. (US) 2010-11-11 WO disclosed
WO-2010128414-A1 GPR 119 MODULATORS PFIZER INC. (US) 2010-11-11 WO disclosed
US-20100285145-A1 GPR 119 MODULATORS PFIZER INC 2010-11-11 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 (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-20100285145-A1 GPR 119 MODULATORS GPR119, GPR65, GPR39 ALDH1A1 1516/4885MAPT 3590/4885SMN1; SMN2 1916/4885

“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.