SCHEMBL26669204

SCHEMBL26669204

CCOc1nccc(N2CCNCC2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 2/20 0.56
▸ HRH4 Q9H3N8 8/20 0.52
▸ CYP1A2 P05177 3/20 0.47
▸ HSD17B10 Q99714 2/20 0.47
▸ PLD1 Q13393 1/20 0.45
▸ CYP2C9 P11712 1/20 0.44
▸ SORD Q00796 1/20 0.44
▸ HTR3E A5X5Y0 2/20 0.43
▸ HTR3B O95264 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ HTR3A P46098 2/20 0.43
▸ HTR3D Q70Z44 2/20 0.43
▸ HTR3C Q8WXA8 2/20 0.43
▸ PRKCQ Q04759 1/20 0.43
▸ ADRB1 P08588 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ USP2 O75604 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ HTR1A P08908 1/20 0.42
▸ HTR2C P28335 1/20 0.42

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
Trifluoroacetic Acid SCHEMBL26600738 0.88 HRH4 (0.62) HRH3HRH4CYP1A2CYP2C9ADRB1
Trifluoroacetic Acid SCHEMBL30618987 0.88 HRH4 (0.62) HRH3HRH4CYP1A2CYP2C9ADRB1
SCHEMBL9368732 0.84 HRH3 (0.59) HRH3HRH4CYP1A2HSD17B10PLD1
Hydrochloric Acid SCHEMBL17580670 0.83 HRH3 (0.58) HRH3HRH4CYP1A2HSD17B10PLD1
Hydrochloric Acid SCHEMBL15106704 0.83 HRH3 (0.58) HRH3HRH4CYP1A2HSD17B10PLD1
SCHEMBL26611673 0.82 HRH3 (0.54) HRH3HRH4CYP1A2HSD17B10PLD1
SCHEMBL11919248 0.81 HRH3 (0.59) HRH3HRH4CYP1A2HSD17B10PLD1
SCHEMBL906132 0.80 HTR1A (0.53) HRH3HRH4CYP1A2HSD17B10PLD1
Hydrochloric Acid SCHEMBL6978271 0.80 HRH3 (0.58) HRH3HRH4CYP1A2HSD17B10PLD1
SCHEMBL26819125 0.78 ACHE (0.44) HRH3HRH4SORDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230340011-A1 STEROIDAL COMPOSITIONS AND METHODS OF TREATING LIPOGENIC CANCERS Asteroid Therapeutics 2023-10-26 — — US disclosed
US-20230340011-A1 STEROIDAL COMPOSITIONS AND METHODS OF TREATING LIPOGENIC CANCERS Asteroid Therapeutics 2023-10-26 — — 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-20230340011-A1 STEROIDAL COMPOSITIONS AND METHODS OF TREATING LIPOGENIC CANCERS SREBF1, SREBF2, NR1H3 HRH3 4494/4885HRH4 4558/4885CYP1A2 935/4885

“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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