SCHEMBL22877828

SCHEMBL22877828

CCCCCC(C)(C)Cc1cccc(F)c1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 1/20 0.41
▸ TAAR1 Q96RJ0 3/20 0.41
▸ IDO1 P14902 2/20 0.40
▸ AGXT P21549 2/20 0.40
▸ CNR2 P34972 2/20 0.38
▸ LPL P06858 2/20 0.38
▸ LIPG Q9Y5X9 2/20 0.38
▸ GGPS1 O95749 1/20 0.37
▸ MAOB P27338 1/20 0.37

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
SCHEMBL25521962 0.86 TAAR1 (0.45) RIPK1TAAR1LPLLIPG
SCHEMBL11966955 0.82 RIPK1 (0.49) RIPK1TAAR1IDO1AGXTMAOB
SCHEMBL11613933 0.81 IDO1 (0.44) RIPK1TAAR1IDO1AGXTMAOB
SCHEMBL27490625 0.79 SLC6A2 (0.45) TAAR1
SCHEMBL2782164 0.79 SLC6A2 (0.45) TAAR1
SCHEMBL21227104 0.78 IDO1 (0.46) RIPK1TAAR1IDO1AGXTGGPS1
Ammonia Solution, Strong SCHEMBL27433180 0.77 SLC6A2 (0.44) TAAR1
Water SCHEMBL28220897 0.77 HTT (0.45) TAAR1
Water SCHEMBL28220900 0.77 HTT (0.45) TAAR1
Ammonia Solution, Strong SCHEMBL27641275 0.77 SLC6A2 (0.44) TAAR1

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-20210008045-A1 PANICINOTAM DERIVATIVE, PREPARATION METHOD AND USE THEREOF OCEAN UNIVERSITY OF CHINA (CN) 2021-01-14 — — 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-20210008045-A1 PANICINOTAM DERIVATIVE, PREPARATION METHOD AND USE THEREOF TPMT, PBRM1, PGM2 RIPK1 1270/4885TAAR1 1519/4885IDO1 305/4885

“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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