SCHEMBL13495018

SCHEMBL13495018

c1ccc(C2=N[C@H](c3ccccc3)CO2)cc1

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.71
RAB9A P51151 3/20 0.71
MAPT P10636 3/20 0.71
ALDH1A1 P00352 3/20 0.71
SMN1; SMN2 Q16637 3/20 0.71
TAAR1 Q96RJ0 3/20 0.59
POLB P06746 2/20 0.49
HTT P42858 2/20 0.48
LMNA P02545 1/20 0.48
TSHR P16473 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HSD17B10 Q99714 1/20 0.46
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
DRD3 P35462 1/20 0.43

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
SCHEMBL1149438 1.00 NPC1 (0.71) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL29938562 1.00 NPC1 (0.71) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
Bromide SCHEMBL5620336 0.96 NPC1 (0.68) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL1299088 0.96 MAPT (0.77) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL14352146 0.91 NPC1 (0.70) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL1298504 0.91 NPC1 (0.70) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL19367694 0.90 MAPT (0.67) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL13572907 0.88 TAAR1 (0.62) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL27907042 0.88 ALDH1A1 (0.67) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL29708126 0.85 MAPT (0.61) NPC1RAB9AMAPTALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220275018-A1 NOVEL SPIROBICYCLIC INTERMEDIATES JANSSEN PHARMACEUTICA NV (BE) 2022-09-01 US disclosed
WO-2020249663-A1 NOVEL SPIROBICYCLIC INTERMEDIATES JANSSEN PHARMACEUTICA NV (BE) 2020-12-17 WO disclosed
WO-2010015211-A1 SYNTHESIS OF OXAZOLINE COMPOUNDS THE HONG KONG POLYTECHNIC UNIVERSITY (CN) 2010-02-11 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-20220275018-A1 NOVEL SPIROBICYCLIC INTERMEDIATES NME2, SLC28A1, SLC28A2 NPC1 398/4885RAB9A 3010/4885MAPT 4472/4885

“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.