SCHEMBL12558442

SCHEMBL12558442

CC(C)(C)C1=C(C(C)(C)C)N=Cc2ccccc2C1

nearest known ligand 0.49

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 14/20 0.49

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
SCHEMBL2628006 0.68 TRPA1 (0.43) TRPA1
SCHEMBL7572467 0.67 TRPA1 (0.55) TRPA1
SCHEMBL642263 0.66 TRPA1 (0.59) TRPA1
SCHEMBL3632749 0.66 TRPA1 (0.59) TRPA1
SCHEMBL29911790 0.66 TRPA1 (0.59) TRPA1
Morphanthridine SCHEMBL1150250 0.66 TRPA1 (1.00) TRPA1
SCHEMBL12558450 0.66 TRPA1 (0.49) TRPA1
Morphanthridine SCHEMBL1509656 0.64 TRPA1 (0.96) TRPA1
Hydrochloric Acid SCHEMBL11023474 0.64 TRPA1 (0.57) TRPA1
SCHEMBL12558455 0.63 GAA (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170342054-A1 COMPOUNDS AND METHODS OF USE THEREOF ELDER AMY (US) 2017-11-30 US disclosed
US-20150284365-A1 COMPOUNDS AND METHODS OF USE THEREOF GALENEA CORPORATION (US) 2015-10-08 US disclosed
US-8912220-B2 Compounds and methods of use thereof Galenea Pharmaceuticals 2014-12-16 US disclosed
US-20110144090-A1 COMPOUNDS AND METHODS OF USE THEREOF GALENEA CORPORATION 2011-06-16 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 (3 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-20170342054-A1 COMPOUNDS AND METHODS OF USE THEREOF AANAT, HNMT, INMT TRPA1 1440/4885
US-20150284365-A1 COMPOUNDS AND METHODS OF USE THEREOF AANAT, HNMT, INMT TRPA1 1440/4885
US-20110144090-A1 COMPOUNDS AND METHODS OF USE THEREOF AANAT, HNMT, INMT TRPA1 1440/4885

“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.