SCHEMBL2601900

SCHEMBL2601900

O=C(NC(Cc1ccccc1)[C@H](O)CNCc1ccccc1)OCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 7/20 0.62
SLC6A11 P48066 1/20 0.62
TRPM8 Q7Z2W7 1/20 0.61
BCHE P06276 8/20 0.55
CTSD P07339 1/20 0.54
CTSB P07858 1/20 0.53
CTRB1 P17538 2/20 0.53

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
SCHEMBL13307652 0.89 BACE1 (0.62) BACE1TRPM8BCHECTSDCTSB
SCHEMBL8708340 0.89 TRPM8 (0.60) BACE1SLC6A11TRPM8CTSDCTSB
SCHEMBL24324236 0.88 TRPM8 (0.56) BACE1SLC6A11TRPM8BCHECTSD
SCHEMBL7698179 0.88 TRPM8 (0.56) BACE1SLC6A11TRPM8BCHECTSD
SCHEMBL4910315 0.88 TRPM8 (0.56) BACE1SLC6A11TRPM8BCHECTSD
SCHEMBL5413813 0.88 TRPM8 (0.56) BACE1SLC6A11TRPM8BCHECTSD
SCHEMBL10570700 0.86 CTSK (0.54) TRPM8CTSB
SCHEMBL13219392 0.86 TRPM8 (0.59) TRPM8CTSDCTSBCTRB1
SCHEMBL8268242 0.86 TRPM8 (0.59) TRPM8CTSDCTSBCTRB1
SCHEMBL4908808 0.84 SPPL2A (0.53) BACE1SLC6A11TRPM8BCHECTSD

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-8163953-B2 Compounds for lysosomal modulation and methods of use UNIVERSITY OF CONNECTICUT (US) 2012-04-24 US disclosed
US-8163953-B2 Compounds for lysosomal modulation and methods of use UNIVERSITY OF CONNECTICUT (US) 2012-04-24 US disclosed
US-20090281178-A1 Compounds for Lysosomal Modulation and Methods of Use UNIVERSITY OF CONNECTICUT 2009-11-12 US disclosed
US-20090281178-A1 Compounds for Lysosomal Modulation and Methods of Use UNIVERSITY OF CONNECTICUT 2009-11-12 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-20090281178-A1 Compounds for Lysosomal Modulation and Methods of Use GAA, GBA1, CTSA BACE1 35/4885SLC6A11 1654/4885TRPM8 2577/4885

“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.