SCHEMBL4876191

SCHEMBL4876191

COC(=O)C(Cc1cc(-c2ccccc2)cnc1N)NC(=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
ALOX15 P16050 1/20 0.49
KYNU Q16719 1/20 0.48
NOS1 P29475 1/20 0.47
MAP4K4 O95819 2/20 0.45
CTSL P07711 2/20 0.45
CTSB P07858 2/20 0.45
CTSS P25774 2/20 0.45
CTSK P43235 1/20 0.45
CYP3A4 P08684 1/20 0.45
TSHR P16473 1/20 0.45
CTRB1 P17538 2/20 0.45
TRPM8 Q7Z2W7 1/20 0.44
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43

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
SCHEMBL4873181 0.82 KLK5 (0.46) ALDH1A1ALOX15KYNUCTSLCTSB
SCHEMBL4797818 0.79 ALDH1A1 (0.51) ALDH1A1ALOX15KYNUCTSLCTSB
SCHEMBL5399986 0.78 ALDH1A1 (0.67) ALDH1A1ALOX15KYNUCTSLCTSB
SCHEMBL7151822 0.78 ALDH1A1 (0.74) ALDH1A1ALOX15KYNUCTSLCTSB
SCHEMBL329686 0.78 ALDH1A1 (0.74) ALDH1A1ALOX15KYNUCTSLCTSB
Hydrochloric Acid SCHEMBL7928050 0.77 ALDH1A1 (0.72) ALDH1A1ALOX15KYNUCTSLCTSB
SCHEMBL15630497 0.76 ALDH1A1 (0.65) ALDH1A1ALOX15KYNUCTSLCTSB
SCHEMBL17007549 0.76 ALDH1A1 (0.65) ALDH1A1ALOX15KYNUCTSLCTSB
SCHEMBL30825625 0.76 ALDH1A1 (0.58) ALDH1A1ALOX15KYNUCTSLCTSB
SCHEMBL8674043 0.76 ALDH1A1 (0.58) ALDH1A1ALOX15KYNUCTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7368458-B2 Bicyclic heterocycles as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-06 US disclosed
US-7368458-B2 Bicyclic heterocycles as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-06 US disclosed
US-7368458-B2 Bicyclic heterocycles as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-06 US disclosed
WO-2006076597-A1 BICYCLIC HETEROCYCLES AS CANNABINOID RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-07-20 WO disclosed
US-20060155126-A1 Bicyclic heterocycles as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY 2006-07-13 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-20060155126-A1 Bicyclic heterocycles as cannabinoid receptor modulators CNR1, CNR2, GPR18 ALDH1A1 2100/4885ALOX15 1654/4885KYNU 1288/4885

“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.