SCHEMBL7222255

SCHEMBL7222255

Cc1noc([C@@H](Cc2ccccc2)NC(=O)OC(C)(C)C)n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.59
NPSR1 Q6W5P4 6/20 0.58
HPGD P15428 5/20 0.58
HTT P42858 5/20 0.58
LMNA P02545 5/20 0.58
TSHR P16473 4/20 0.58
HSD17B10 Q99714 4/20 0.58
KMT2A Q03164 4/20 0.58
PKM P14618 3/20 0.58
MEN1 O00255 3/20 0.58
XBP1 P17861 2/20 0.58
ALOX15 P16050 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
TP53 P04637 2/20 0.55
MAPT P10636 2/20 0.55
AGTR1 P30556 1/20 0.55
RAB9A P51151 1/20 0.55
JAK2 O60674 3/20 0.55
S1PR4 O95977 1/20 0.55
HSP90AA1 P07900 1/20 0.55

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
SCHEMBL5960981 1.00 ALDH1A1 (0.59) ALDH1A1NPSR1HPGDHTTLMNA
SCHEMBL4831955 0.91 ALDH1A1 (0.51) ALDH1A1NPSR1HPGDHTTLMNA
SCHEMBL4831951 0.91 ALDH1A1 (0.51) ALDH1A1NPSR1HPGDHTTLMNA
SCHEMBL7001607 0.87 ALDH1A1 (0.57) ALDH1A1NPSR1HPGDHTTLMNA
SCHEMBL6599890 0.85 TSHR (0.58) ALDH1A1NPSR1HPGDHTTLMNA
SCHEMBL6600356 0.85 CTSS (0.59) ALDH1A1NPSR1HPGDHTTLMNA
SCHEMBL6600359 0.85 CTSS (0.59) ALDH1A1NPSR1HPGDHTTLMNA
SCHEMBL18435336 0.82 ALDH1A1 (0.53) ALDH1A1NPSR1HPGDHTTLMNA
SCHEMBL16254394 0.82 ALDH1A1 (0.53) ALDH1A1NPSR1HPGDHTTLMNA
SCHEMBL31385412 0.81 ALDH1A1 (0.40) ALDH1A1NPSR1HPGDHTTLMNA

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-6653304-B2 Antiarthritic agents; skin disorders; anticarcinogenic agents BRISTOL-MYERS SQUIBB CO. 2003-11-25 US disclosed
EP-1254115-A2 CANNABINOID RECEPTOR MODULATORS, THEIR PROCESSES OF PREPARATION, AND USE OF CANNABINOID RECEPTOR MODULATORS FOR TREATING RESPIRATORY AND NON-RESPIRATORY DISEASES Bristol-Myers Squibb Company (US) 2002-11-06 EP disclosed
US-20020119972-A1 Cannabinoid receptor modulators, their processes of preparation, and use of cannabinoid receptor modulators for treating respiratory and non-respiratory diseases BRISTOL-MYERS SQUIBB COMPANY 2002-08-29 US disclosed
WO-2001058869-A2 CANNABINOID RECEPTOR MODULATORS, THEIR PROCESSES OF PREPARATION, AND USE OF CANNABINOID RECEPTOR MODULATORS IN TREATING RESPIRATORY AND NON-RESPIRATORY DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2001-08-16 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 (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-20020119972-A1 Cannabinoid receptor modulators, their processes of preparation, and use of cannabinoid receptor modulators for treating respiratory and non-respiratory diseases CNR1, CNR2, GPR18 ALDH1A1 3321/4885NPSR1 47/4885HPGD 889/4885

“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.