SCHEMBL6971694

SCHEMBL6971694

O=C(c1ccco1)N1CCC(O)c2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.59
RAB9A P51151 2/20 0.59
NPC1 O15118 1/20 0.59
BRD4 O60885 1/20 0.49
SMN1; SMN2 Q16637 4/20 0.48
MAPT P10636 1/20 0.48
KCNA3 P22001 3/20 0.47
RBP4 P02753 1/20 0.47
ALDH1A1 P00352 5/20 0.47
LMNA P02545 2/20 0.47
PKM P14618 1/20 0.46
CHRNA7 P36544 1/20 0.46
HTT P42858 1/20 0.45
KDM4E B2RXH2 1/20 0.45
TSHR P16473 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
NOX1 Q9Y5S8 1/20 0.45

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
SCHEMBL6972330 0.81 NPSR1 (0.53) TDP1RAB9ANPC1BRD4SMN1; SMN2
SCHEMBL6970584 0.80 GFER (0.63) TDP1RAB9ANPC1BRD4SMN1; SMN2
SCHEMBL13776239 0.79 NPSR1 (0.56) TDP1RAB9ANPC1BRD4SMN1; SMN2
SCHEMBL6972459 0.79 ALDH1A1 (0.61) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL842376 0.79 AVPR2 (0.54) RAB9ANPC1SMN1; SMN2ALDH1A1HTT
SCHEMBL6972312 0.78 NPSR1 (0.50) TDP1RAB9ANPC1BRD4SMN1; SMN2
SCHEMBL28001631 0.76 AVPR2 (0.43) RAB9AALDH1A1TSHR
SCHEMBL981565 0.73 NPC1 (0.61) RAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL2172049 0.73 NPC1 (0.61) RAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL2173894 0.73 NPC1 (0.61) RAB9ANPC1SMN1; SMN2L3MBTL1

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-20030216398-A1 Soluble beta amyloid precursor protein secretion promoters TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2003-11-20 US disclosed
EP-1283055-A1 SOLUBLE BETA AMYLOID PRECURSOR PROTEIN SECRETION PROMOTERS Takeda Chemical Industries, Ltd. (JP) 2003-02-12 EP 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-20030216398-A1 Soluble beta amyloid precursor protein secretion promoters APP, BDNF, BACE1 TDP1 756/4885RAB9A 3558/4885NPC1 1628/4885

“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.