SCHEMBL31622909

SCHEMBL31622909

COc1ccc2[nH]c3c(c2c1)CCN1C(=O)[C@H]2C[C@@H]3[C@@H]1C2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 2/20 0.53
▸ SLC6A4 P31645 2/20 0.53
▸ CHRNB2 P17787 1/20 0.53
▸ CHRNB4 P30926 1/20 0.53
▸ CHRNA3 P32297 1/20 0.53
▸ CHRNA4 P43681 1/20 0.53
▸ KCNH2 Q12809 1/20 0.53
▸ TMEM97 Q5BJF2 1/20 0.53
▸ MAPKAPK2 P49137 5/20 0.53
▸ MAPT P10636 4/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ HTR2B P41595 1/20 0.51
▸ TRPA1 O75762 1/20 0.50
▸ TRPV1 Q8NER1 1/20 0.50
▸ MAPKAPK5 Q8IW41 1/20 0.47
▸ SIRT1 Q96EB6 1/20 0.47
▸ TP53 P04637 3/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ CHRM4 P08173 1/20 0.44
▸ DRD2 P14416 1/20 0.44

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
SCHEMBL31291699 0.77 SLC6A4 (0.73) SIGMAR1SLC6A4CHRNB2CHRNB4CHRNA3
SCHEMBL31291661 0.77 SLC6A4 (0.73) SIGMAR1SLC6A4CHRNB2CHRNB4CHRNA3
SCHEMBL31291638 0.77 SIGMAR1 (0.53) SIGMAR1SLC6A4CHRNB2CHRNB4CHRNA3
SCHEMBL31622897 0.77 KDM4E (0.41) MAPTALDH1A1TRPA1TRPV1TP53
SCHEMBL31291768 0.77 SIGMAR1 (0.53) SIGMAR1SLC6A4CHRNB2CHRNB4CHRNA3
Hydrochloric Acid SCHEMBL31291712 0.76 SLC6A4 (0.71) SIGMAR1SLC6A4CHRNB2CHRNB4CHRNA3
Hydrochloric Acid SCHEMBL31291633 0.76 SLC6A4 (0.71) SIGMAR1SLC6A4CHRNB2CHRNB4CHRNA3
SCHEMBL6353101 0.76 TP53 (0.57) SIGMAR1SLC6A4CHRNB2CHRNB4CHRNA3
SCHEMBL6237350 0.75 MAPKAPK2 (0.55) SIGMAR1SLC6A4CHRNB2CHRNB4CHRNA3
SCHEMBL8041738 0.74 MAPKAPK2 (0.54) SIGMAR1SLC6A4CHRNB2CHRNB4CHRNA3

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-20250197395-A1 IBOGAINE AND NORIBOGAINE ANALOGS AND USES THEREOF ATAI THERAPEUTICS INC (US) 2025-06-19 — — 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-20250197395-A1 IBOGAINE AND NORIBOGAINE ANALOGS AND USES THEREOF OPRM1, OPRK1, OPRD1 SIGMAR1 7/4885SLC6A4 348/4885CHRNB2 119/4885

“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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