SCHEMBL26838992

SCHEMBL26838992

COc1ccc2c(c1)cc1n2CCNCC1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.77
HTR2C P28335 5/20 0.77
HTR1A P08908 1/20 0.49
HTR1D P28221 1/20 0.49
HTR1B P28222 1/20 0.49
ADRB1 P08588 3/20 0.46
HTR3E A5X5Y0 2/20 0.44
HTR3B O95264 2/20 0.44
HTR3A P46098 2/20 0.44
HTR3D Q70Z44 2/20 0.44
HTR3C Q8WXA8 2/20 0.44
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 3/20 0.44
HPGD P15428 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HSD17B10 Q99714 2/20 0.44
POLB P06746 2/20 0.44
SIGMAR1 Q99720 1/20 0.43
USP2 O75604 1/20 0.41

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
SCHEMBL6718518 0.89 HTR2A (0.62) HTR2AHTR2CHTR1AHTR1DHTR1B
SCHEMBL26675916 0.89 HTR2A (0.77) HTR2AHTR2CHTR1AHTR1DHTR1B
SCHEMBL970777 0.87 HTR2A (1.00) HTR2AHTR2CHTR1AHTR1DHTR1B
SCHEMBL6718656 0.86 HTR2A (0.58) HTR2AHTR2CHTR1AHTR1DHTR1B
SCHEMBL6716207 0.86 HTR2A (0.58) HTR2AHTR2CHTR1AHTR1DHTR1B
SCHEMBL6712409 0.85 HTR2A (0.57) HTR2AHTR2CHTR1AHTR1DHTR1B
SCHEMBL6713595 0.85 HTR2A (0.57) HTR2AHTR2CHTR1AHTR1DHTR1B
SCHEMBL7097243 0.84 HTR2A (0.58) HTR2AHTR2CHTR1AHTR1DHTR1B
SCHEMBL7097239 0.84 HTR2A (0.58) HTR2AHTR2CHTR1AHTR1DHTR1B
SCHEMBL6718700 0.83 HTR2A (0.55) HTR2AHTR2CHTR1BADRB1SIGMAR1

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 HTR2A 133/4885HTR2C 126/4885HTR1A 146/4885

“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.