SCHEMBL21958205

SCHEMBL21958205

CCn1cccc1Cc1ccc[nH]1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.36
▸ KAT8 Q9H7Z6 1/20 0.32
▸ DRD2 P14416 1/20 0.31
▸ DRD4 P21917 1/20 0.31
▸ DRD3 P35462 1/20 0.31

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
SCHEMBL28363242 0.83 MAOA (0.33) MAOAKAT8DRD2DRD4DRD3
SCHEMBL14613499 0.79 MAOA (0.38) MAOAKAT8
SCHEMBL668145 0.71 — —
Cyanide SCHEMBL30330642 0.70 RAPGEF4 (0.36) —
SCHEMBL79201 0.70 MAOA (0.47) MAOAKAT8DRD2DRD4DRD3
SCHEMBL13291655 0.69 MAOA (0.30) MAOA
Hydrochloric Acid SCHEMBL30330586 0.69 RAPGEF4 (0.38) —
Fluoride SCHEMBL30330772 0.69 RAPGEF4 (0.38) —
SCHEMBL30532125 0.68 MAOA (0.45) MAOAKAT8DRD2DRD4DRD3
Bromide SCHEMBL29027395 0.68 MAOA (0.45) MAOAKAT8DRD2DRD4DRD3

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
CN-110869348-B Pyrrole compound, perfume composition, and cosmetic containing the same 长谷川香料株式会社 2023-09-12 — — CN disclosed
US-11332694-B2 Pyrrole compound, method of making same, and aroma composition, food, drink and cosmetics containing same T. HASEGAWA CO., LTD. (JP) 2022-05-17 — — US disclosed
US-11332694-B2 Pyrrole compound, method of making same, and aroma composition, food, drink and cosmetics containing same T. HASEGAWA CO., LTD. (JP) 2022-05-17 — — US disclosed
US-20200157463-A1 PYRROLE COMPOUND, AROMA COMPOSITION, AND FOOD AND DRINK AND COSMETICS CONTAINING THE SAME T. HASEGAWA CO., LTD. (JP) 2020-05-21 — — US disclosed
US-20200157463-A1 PYRROLE COMPOUND, AROMA COMPOSITION, AND FOOD AND DRINK AND COSMETICS CONTAINING THE SAME T. HASEGAWA CO., LTD. (JP) 2020-05-21 — — US disclosed
CN-110869348-A Pyrrole compound, perfume composition, and food, drink and cosmetic containing same 长谷川香料株式会社 2020-03-06 — — CN 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 (2 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-20200157463-A1 PYRROLE COMPOUND, AROMA COMPOSITION, AND FOOD AND DRINK AND COSMETICS CONTAINING THE SAME TAS1R1, TAS2R1, TAS1R2 MAOA 1416/4885KAT8 2215/4885DRD2 232/4885
US-11332694-B2 Pyrrole compound, method of making same, and aroma composition, food, drink and cosmetics containing same TAS2R1, TAS1R1, TAS2R10 MAOA 666/4885KAT8 1727/4885DRD2 502/4885

“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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