SCHEMBL26837244

SCHEMBL26837244

c1ccc2c3c(oc2c1)C1CCCN(CC3)C1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ THPO P40225 1/20 0.39
▸ BLM P54132 1/20 0.38
▸ PMP22 Q01453 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ TAAR1 Q96RJ0 2/20 0.38
▸ ACHE P22303 2/20 0.38
▸ CHRM2 P08172 4/20 0.35
▸ CHRM4 P08173 4/20 0.35
▸ CHRM5 P08912 4/20 0.35
▸ CHRM1 P11229 4/20 0.35
▸ CHRM3 P20309 4/20 0.35
▸ SIGMAR1 Q99720 1/20 0.35
▸ CHRNB2 P17787 1/20 0.34
▸ CHRNA4 P43681 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ MTHFD2 P13995 1/20 0.33
▸ BCHE P06276 1/20 0.33

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
SCHEMBL26837240 0.82 CYP1A2 (0.47) CYP3A4CYP2D6SMN1; SMN2CHRNB2CHRNA4
SCHEMBL26837238 0.82 HTR3A (0.38) SMN1; SMN2ACHECHRM2CHRM4CHRM5
SCHEMBL26837242 0.79 CHRM2 (0.37) CYP3A4ACHECHRM2CHRM4CHRM5
SCHEMBL26837612 0.79 HRH4 (0.41) SMN1; SMN2ACHEPOLB
SCHEMBL22636256 0.72 CYP3A4 (0.51) CYP3A4CYP2D6THPOBLMPMP22
SCHEMBL26837590 0.72 CYP3A4 (0.38) CYP3A4CYP2D6THPOBLMPMP22
SCHEMBL5264482 0.72 BRD3 (0.46) CYP3A4CYP2D6THPOSMN1; SMN2TAAR1
SCHEMBL26837235 0.71 DRD2 (0.39) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL26675949 0.70 ADRA1D (0.56) CYP2D6SIGMAR1POLBBCHE
SCHEMBL8101015 0.69 TAAR1 (0.41) CYP3A4CYP2D6THPOBLMPMP22

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 CYP3A4 238/4885CYP2D6 402/4885THPO 4732/4885

“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.

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