SCHEMBL26675896

SCHEMBL26675896

CC(Cc1c[nH]c2ccccc12)N1CC=CCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.52
HTR1A P08908 3/20 0.52
HTR6 P50406 2/20 0.52
ADRB1 P08588 1/20 0.52
ADRA2A P08913 1/20 0.52
SLC6A2 P23975 1/20 0.52
HTR1D P28221 1/20 0.52
HTR1B P28222 1/20 0.52
HTR2C P28335 1/20 0.52
HTR1E P28566 1/20 0.52
SLC6A4 P31645 1/20 0.52
HTR7 P34969 1/20 0.52
HTR2B P41595 1/20 0.52
SLC6A3 Q01959 1/20 0.52
KDM4E B2RXH2 2/20 0.48
MAPT P10636 2/20 0.48
APAF1 O14727 1/20 0.48
POLB P06746 1/20 0.48
RECQL P46063 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL5174062 0.82 HTR6 (0.59) HTR2AHTR1AHTR6ADRB1ADRA2A
SCHEMBL7646617 0.81 KDM4E (0.58) HTR2AHTR1AHTR6ADRB1ADRA2A
SCHEMBL9091785 0.74 CYP2D6 (0.69) HTR2AHTR1AHTR6ADRA2ASLC6A2
SCHEMBL827572 0.72 HTR2A (0.74) HTR2AHTR1AHTR6ADRB1ADRA2A
SCHEMBL13684158 0.72 HTR2A (0.68) HTR2AHTR1AHTR6SLC6A4HTR7
SCHEMBL3202358 0.72 PTGS2 (0.54) KDM4EMAPTAPAF1POLBRECQL
SCHEMBL3204277 0.72 PTGS2 (0.54) KDM4EMAPTAPAF1POLBRECQL
SCHEMBL28154603 0.71 HTR2A (0.72) HTR2AHTR1AHTR6ADRB1ADRA2A
SCHEMBL28154602 0.71 HTR2A (0.72) HTR2AHTR1AHTR6ADRB1ADRA2A
SCHEMBL25082478 0.70 HTR2A (0.66) HTR2AHTR1AHTR6ADRB1ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4288048-A1 OXA-IBOGAINE INSPIRED ANALOGUES FOR TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS The Trustees Of Columbia University In The City Of New York (US) 2023-12-13 EP 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
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
CN-117120050-A Oxa-ibogine inspired analogues for the treatment of neurological and psychiatric disorders 纽约哥伦比亚大学董事会 2023-11-24 CN disclosed
WO-2022170268-A1 OXA-IBOGAINE INSPIRED ANALOGUES FOR TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2022-08-11 WO 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 HTR2A 133/4885HTR1A 146/4885HTR6 179/4885

“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.