SCHEMBL26837331

SCHEMBL26837331

c1cc2[nH]c3c(c2cc1C1CC1)CCN1CCCC3C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
DHODH Q02127 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
MEN1 O00255 1/20 0.36
GLA P06280 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TLR9 Q9NR96 4/20 0.35
TLR8 Q9NR97 4/20 0.35
TLR7 Q9NYK1 4/20 0.35
KIF11 P52732 2/20 0.35
CYP2D6 P10635 1/20 0.35
BRD3 Q15059 3/20 0.35
SIRT1 Q96EB6 2/20 0.34
CHRNA7 P36544 1/20 0.34

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
SCHEMBL26837259 0.85 ALOX15 (0.51) HTR2AHTR2CMEN1GLAMAPT
SCHEMBL26837314 0.85 SIRT1 (0.50) KIF11SIRT1
SCHEMBL26675944 0.85 SIRT1 (0.50) HTR2AHTR2CKIF11SIRT1
SCHEMBL26675949 0.83 ADRA1D (0.56) ADRA1DADRA1AADRA1BMEN1KMT2A
SCHEMBL26840036 0.82 TRPV1 (0.43) ADRA1DADRA1AADRA1BMEN1MAPT
SCHEMBL26675972 0.82 MAPKAPK2 (0.54) HTR2AHTR2CMEN1MAPTALOX15
SCHEMBL26837231 0.82 GAA (0.39) ADRA1DADRA1AADRA1BKIF11BRD3
SCHEMBL29736188 0.82 MAPKAPK2 (0.54) HTR2AHTR2CMEN1MAPTALOX15
SCHEMBL26837334 0.80 MAPT (0.58) MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL26837280 0.80 AR (0.35) ADRA1DADRA1AADRA1BHTR2AHTR2C

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-20230382919-A1 OXA- IBOGAINE INSPIRED ANALOGUES FOR TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2023-11-30 US disclosed
US-20230382919-A1 OXA- IBOGAINE INSPIRED ANALOGUES FOR TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2023-11-30 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-20230382919-A1 OXA- IBOGAINE INSPIRED ANALOGUES FOR TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS GRIA4, GRIA3, GRIN3A ADRA1D 143/4885ADRA1A 160/4885ADRA1B 204/4885

“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.