SCHEMBL31079609

SCHEMBL31079609

COc1ccc2cnn(C[C@H]3CCCN3C)c2c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.51
▸ HTR2C P28335 1/20 0.51
▸ HTR2B P41595 1/20 0.51
▸ CHRM2 P08172 3/20 0.49
▸ CHRM1 P11229 3/20 0.49
▸ CHRNB4 P30926 4/20 0.49
▸ CHRNA3 P32297 4/20 0.49
▸ ADRA1A P35348 2/20 0.48
▸ HRH1 P35367 2/20 0.48
▸ HRH3 Q9Y5N1 2/20 0.48
▸ ADRA1B P35368 1/20 0.47
▸ CHRNB1 P11230 3/20 0.47
▸ CHRNB2 P17787 3/20 0.47
▸ CHRNB3 Q05901 3/20 0.47
▸ HTR1A P08908 2/20 0.45
▸ HTR1B P28222 2/20 0.45
▸ CHRNA4 P43681 2/20 0.44
▸ HTR6 P50406 5/20 0.43

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
SCHEMBL31079472 1.00 HTR2A (0.51) HTR2AHTR2CHTR2BCHRM2CHRM1
SCHEMBL27165646 1.00 HTR2A (0.51) HTR2AHTR2CHTR2BCHRM2CHRM1
SCHEMBL27165370 1.00 HTR2A (0.51) HTR2AHTR2CHTR2BCHRM2CHRM1
SCHEMBL27165384 1.00 HTR2A (0.51) HTR2AHTR2CHTR2BCHRM2CHRM1
SCHEMBL27165389 0.83 HTR2A (0.46) HTR2AHTR2CHTR2BCHRM2CHRM1
SCHEMBL27204460 0.83 HTR2A (0.46) HTR2AHTR2CHTR2BCHRM2CHRM1
SCHEMBL27204372 0.83 HTR2A (0.49) HTR2AHTR2CCHRM2CHRM1CHRNB4
SCHEMBL27165366 0.83 HTR2A (0.49) HTR2AHTR2CCHRM2CHRM1CHRNB4
SCHEMBL30816422 0.79 KDM4E (0.46) HTR2AHTR2CHTR2BCHRM2CHRM1
SCHEMBL7252886 0.77 HTR7 (0.42) CHRNB4CHRNA3HRH1HRH3CHRNB1

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-20240342126-A1 HALLUCINOGEN-FATTY ACID COMBINATION MINDSET PHARMA INC. (CA) 2024-10-17 — — 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-20240342126-A1 HALLUCINOGEN-FATTY ACID COMBINATION FAAH, HTR5A, FAAH2 HTR2A 8/4885HTR2C 5/4885HTR2B 16/4885

“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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