SCHEMBL26839908

SCHEMBL26839908

COc1cc2c3c([nH]c2cc1F)C1CCCN(CC3)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NCOA1 Q15788 1/20 0.46
▸ NCOA3 Q9Y6Q9 1/20 0.46
▸ KDM4E B2RXH2 3/20 0.37
▸ ADRA1D P25100 1/20 0.37
▸ ADRA1A P35348 1/20 0.37
▸ ADRA1B P35368 1/20 0.37
▸ SLC6A4 P31645 1/20 0.36
▸ MAPT P10636 2/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAPKAPK2 P49137 2/20 0.36
▸ ABCB1 P08183 1/20 0.35
▸ ABCG2 Q9UNQ0 1/20 0.35
▸ HTR2A P28223 4/20 0.35
▸ HTR2C P28335 3/20 0.35
▸ HTR2B P41595 2/20 0.35
▸ ADRB1 P08588 1/20 0.35
▸ HTR1A P08908 1/20 0.35
▸ ADRA2C P18825 1/20 0.35

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
SCHEMBL26837304 0.87 ADRA1D (0.34) KDM4EADRA1DADRA1AADRA1BABCB1
SCHEMBL26839913 0.87 MAPT (0.38) ADRA1DADRA1AADRA1BMAPTNPSR1
SCHEMBL26837294 0.85 BRD3 (0.35) KDM4EADRA1DADRA1AADRA1BGAA
SCHEMBL26839915 0.84 MAPT (0.38) ADRA1DADRA1AADRA1BMAPTNPSR1
SCHEMBL26837273 0.83 AR (0.34) ADRA1DADRA1AADRA1BMAPTNPSR1
SCHEMBL26837291 0.83 BRD3 (0.35) KDM4EADRA1DADRA1AADRA1BGAA
SCHEMBL26837276 0.81 AR (0.39) ADRA1DADRA1AADRA1BMAPTNPSR1
SCHEMBL29736188 0.80 MAPKAPK2 (0.54) KDM4ESLC6A4MAPTALDH1A1MAPKAPK2
SCHEMBL26837357 0.80 KDM4E (0.52) KDM4EMAPTALDH1A1GAAMAPKAPK2
SCHEMBL26675972 0.80 MAPKAPK2 (0.54) KDM4ESLC6A4MAPTALDH1A1MAPKAPK2

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-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 NCOA1 423/4885NCOA3 281/4885KDM4E 2836/4885

“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.

Send feedback