SCHEMBL29907417

SCHEMBL29907417

O[C@@H](c1ccc(Br)cn1)C1CC1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ADRA2A P08913 2/20 0.34
ADRA2B P18089 2/20 0.34
ADRA2C P18825 2/20 0.34
PLAU P00749 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
FDPS P14324 1/20 0.33
IDH1 O75874 3/20 0.33
S1PR3 Q99500 5/20 0.33
S1PR4 O95977 4/20 0.33
S1PR2 O95136 2/20 0.32
DDB1 Q16531 1/20 0.31
CRBN Q96SW2 1/20 0.31
GBA1 P04062 1/20 0.31

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
SCHEMBL4899825 1.00 IDO1 (0.36) IDO1ALDH1A1KDM4EADRA2AADRA2B
SCHEMBL19126909 0.93 IDO1 (0.43) IDO1ALDH1A1KDM4EADRA2AADRA2B
SCHEMBL16000441 0.92 IDO1 (0.36) IDO1ALDH1A1KDM4EADRA2AADRA2B
SCHEMBL29090697 0.91 IDO1 (0.45) IDO1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL29207866 0.89 CYP11B2 (0.39) IDO1ALDH1A1KDM4EADRA2AADRA2B
SCHEMBL21841702 0.84 IDH1 (0.38) ALDH1A1KDM4EADRA2AADRA2BADRA2C
SCHEMBL20644624 0.80 IGF1R (0.41) IDO1SMN1; SMN2
SCHEMBL25160321 0.78 CCR1 (0.39) IDO1ADRA2AADRA2BADRA2CPLAU
SCHEMBL30318569 0.78 APLNR (0.44)
SCHEMBL29902105 0.78 ADRA2A (0.35) ADRA2AADRA2BADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220289679-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-09-15 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-20220289679-A1 HETEROCYCLIC COMPOUND GBA1, GBA2, GALC IDO1 2742/4885ALDH1A1 1563/4885KDM4E 2610/4885

“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.