SCHEMBL27085129

SCHEMBL27085129

CCCCCC(=O)Oc1cccc2[nH]cc(CCN(C(C)C)C(C)C)c12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 11/20 0.68
▸ HTR1A P08908 5/20 0.49
▸ HTR1B P28222 3/20 0.49
▸ HTR2C P28335 4/20 0.47
▸ HTR2B P41595 4/20 0.47
▸ HTR6 P50406 3/20 0.47
▸ HTR1D P28221 2/20 0.46
▸ HTR1E P28566 2/20 0.46
▸ HTR7 P34969 2/20 0.46
▸ HTR5A P47898 2/20 0.46
▸ HTR3E A5X5Y0 1/20 0.46
▸ HTR3B O95264 1/20 0.46
▸ HTR1F P30939 1/20 0.46
▸ HTR3A P46098 1/20 0.46
▸ HTR4 Q13639 1/20 0.46
▸ HTR3D Q70Z44 1/20 0.46
▸ HTR3C Q8WXA8 1/20 0.46
▸ DRD1 P21728 1/20 0.44
▸ ADORA2A P29274 1/20 0.44
▸ ADORA2B P29275 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
SCHEMBL29832041 0.99 HTR2A (0.70) HTR2AHTR1AHTR1BHTR2CHTR2B
SCHEMBL24499526 0.99 HTR2A (0.70) HTR2AHTR1AHTR1BHTR2CHTR2B
SCHEMBL27084761 0.99 HTR2A (0.70) HTR2AHTR1AHTR1BHTR2CHTR2B
SCHEMBL24498810 0.99 HTR2A (0.70) HTR2AHTR1AHTR1BHTR2CHTR2B
SCHEMBL25790828 0.93 HTR2A (0.59) HTR2AHTR1AHTR1BHTR2CHTR2B
Hydrochloric Acid SCHEMBL31634307 0.92 HTR2A (0.58) HTR2AHTR1AHTR1BHTR2CHTR2B
SCHEMBL27085099 0.92 HTR2A (0.58) HTR2AHTR1AHTR1BHTR2CHTR2B
SCHEMBL27084904 0.92 HTR2A (0.58) HTR2AHTR1AHTR1BHTR2CHTR2B
SCHEMBL27085057 0.91 HTR2A (0.59) HTR2AHTR1AHTR1BHTR2CHTR2B
SCHEMBL25422775 0.90 HTR2A (0.56) HTR2AHTR1AHTR1BHTR2CHTR2B

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-20240043382-A1 MODIFIED INDOLE ALKALOIDS FOR THERAPEUTIC USES COMPASS PATHFINDER LIMITED (GB) 2024-02-08 — — 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-20240043382-A1 MODIFIED INDOLE ALKALOIDS FOR THERAPEUTIC USES INMT, AANAT, HNMT HTR2A 53/4885HTR1A 181/4885HTR1B 324/4885

“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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