SCHEMBL5297631

SCHEMBL5297631

c1ccc(CCC[n+]2cc[nH]c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 4/20 0.39
▸ MAOA P21397 1/20 0.38
▸ ACHE P22303 1/20 0.37
▸ CHRNA7 P36544 3/20 0.37
▸ CHRNA10 Q9GZZ6 3/20 0.37
▸ CHRNA9 Q9UGM1 3/20 0.37
▸ MAOB P27338 1/20 0.37
▸ HTR2A P28223 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
Hydrochloric Acid SCHEMBL20923487 0.98 SIGMAR1 (0.38) SIGMAR1MAOAACHECHRNA7CHRNA10
Hydrochloric Acid SCHEMBL21051230 0.92 CHRNA7 (0.44) SIGMAR1MAOACHRNA7CHRNA10CHRNA9
SCHEMBL28185788 0.91 SIGMAR1 (0.38) SIGMAR1
SCHEMBL8369382 0.89 CYP2D6 (0.40) MAOAMAOBHTR2A
Hydrochloric Acid SCHEMBL21082787 0.87 CYP2D6 (0.39) MAOAMAOBHTR2A
Bromide SCHEMBL1885288 0.81 CHRNA7 (0.40) SIGMAR1CHRNA7CHRNA10CHRNA9MAOB
Bromide SCHEMBL1883010 0.81 CHRNA7 (0.46) CHRNA7CHRNA10CHRNA9
Bromide SCHEMBL1889476 0.81 CHRNA7 (0.40) CHRNA7CHRNA10CHRNA9HTR2A
Bromide SCHEMBL1887326 0.81 CHRNA7 (0.40) MAOACHRNA7CHRNA10CHRNA9MAOB
Benzylimidazole SCHEMBL339106 0.81 ALDH1A1 (0.46) ACHE

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
WO-2020152206-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2020-07-30 — — WO disclosed
EP-2474527-B1 IONIC LIQUID CONTAINING ALLYLSULFONATE ANION WAKO PURE CHEM IND LTD (JP) 2017-01-25 — — EP disclosed
US-8546609-B2 Ionic liquid containing allylsulfonate anion WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2013-10-01 — — US disclosed
EP-2474527-A1 IONIC LIQUID CONTAINING ALLYLSULFONATE ANION Wako Pure Chemical Industries, Ltd. (JP) 2012-07-11 — — EP disclosed
US-20120157680-A1 IONIC LIQUID CONTAINING ALLYLSULFONATE ANION WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2012-06-21 — — US disclosed
WO-2007006418-A1 IONIC-LIQUID-CONTAINING PRODUCTS FOR DYEING AND/OR BRIGHTENING KERATIN FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-01-18 — — WO 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-20120157680-A1 IONIC LIQUID CONTAINING ALLYLSULFONATE ANION ATXN2L, ARL1, INPPL1 SIGMAR1 413/4885MAOA 4875/4885ACHE 4640/4885

“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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