SCHEMBL7745825

SCHEMBL7745825

CC(C)C1CC[C@@H](O)[C@@H](O)C1

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.39
TRPM8 Q7Z2W7 2/20 0.39
SHBG P04278 1/20 0.32

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
SCHEMBL10297543 1.00 TRPA1 (0.39) TRPA1TRPM8SHBG
SCHEMBL7745828 1.00 TRPA1 (0.39) TRPA1TRPM8SHBG
SCHEMBL6757991 0.88 TRPA1 (0.37) TRPA1TRPM8SHBG
SCHEMBL6758029 0.88 TRPA1 (0.37) TRPA1TRPM8SHBG
SCHEMBL6883399 0.88 TRPA1 (0.37) TRPA1TRPM8SHBG
SCHEMBL10409633 0.84 TRPA1 (0.37) TRPA1TRPM8
SCHEMBL14116089 0.82 TRPA1 (0.61) TRPA1TRPM8
SCHEMBL1245044 0.82 TRPA1 (0.45) TRPA1TRPM8
SCHEMBL2162465 0.82 TRPA1 (0.45) TRPA1TRPM8
SCHEMBL12449332 0.82 TRPA1 (0.45) TRPA1TRPM8

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-20090082369-A1 Pyrrolo[2,3d]pyrimidine compositions and their use OSI PHARMACEUTICALS, INC. 2009-03-26 US disclosed
US-7429574-B2 4-heterocyclo-pyrrolo[2,3d] pyrimidine compositions and their use OSI PHARMACEUTICALS, INC. (US) 2008-09-30 US disclosed
US-7160890-B2 Compounds specific to adenosine A3 receptor and uses thereof OSI PHARMACEUTICALS, INC. (US) 2007-01-09 US disclosed
US-6680324-B2 4-AMINO-6-PHENYL-PYRROLO(2,3-D)PYRIMIDINE DERIVATIVES OSI PHARMACEUTICALS, INC. 2004-01-20 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-20090082369-A1 Pyrrolo[2,3d]pyrimidine compositions and their use ADORA3, ADORA2A, ADORA1 TRPA1 3133/4885TRPM8 3261/4885SHBG 4275/4885

“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.