SCHEMBL5299457

SCHEMBL5299457

Cc1cc[n+](C(C)C)cc1C

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 4/20 0.33
CHRNA10 Q9GZZ6 4/20 0.33
CHRNA9 Q9UGM1 4/20 0.33
TSHR P16473 1/20 0.30
ACHE P22303 1/20 0.30

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
SCHEMBL5308509 0.70 ACHE (0.39) CHRNA7TSHRACHE
Iodide SCHEMBL1750930 0.69 HTT (0.38) CHRNA7TSHRACHE
SCHEMBL5291785 0.68 GABRA1 (0.36) TSHR
SCHEMBL5298975 0.68 LMNA (0.46) TSHRACHE
SCHEMBL12381060 0.68 GABRA1 (0.34) TSHR
SCHEMBL22953081 0.67 SLC22A2 (0.38)
SCHEMBL1128429 0.67 ACHE (0.42) ACHE
Bromide SCHEMBL7722238 0.65 BCHE (0.44) ACHE
Iodide SCHEMBL10722217 0.65 ACHE (0.41) ACHE
SCHEMBL5302778 0.65

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
US-8835466-B2 Synthesis and uses of pyroglutamic acid derivatives PRODIMED, S.A. (ES) 2014-09-16 US disclosed
US-7671206-B2 Synthesis and uses of pyroglutamic acid derivatives PRODIMED, S.A. (ES) 2010-03-02 US disclosed
US-20090163555-A1 SYNTHESIS AND USES OF PYROGLUTAMIC ACID DERIVATIVES PRODIMED, S.A. (ES) 2009-06-25 US disclosed
US-20070249678-A1 SYNTHESIS AND USES OF PYROGLUTAMIC ACID DERIVATIVES PRODIMED, S.A. (ES) 2007-10-25 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
WO-2006131234-A1 COSMETIC COMPOSITIONS COMPRISING IONIC LIQUIDS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-12-14 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 (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-20070249678-A1 SYNTHESIS AND USES OF PYROGLUTAMIC ACID DERIVATIVES GLUL, RIMKLA, PHKG1 CHRNA7 4347/4885CHRNA10 4259/4885CHRNA9 4251/4885
US-20090163555-A1 SYNTHESIS AND USES OF PYROGLUTAMIC ACID DERIVATIVES GLUL, RIMKLA, GLS CHRNA7 4196/4885CHRNA10 4271/4885CHRNA9 4224/4885

“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.