SCHEMBL22305236

SCHEMBL22305236

Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)C(O)C[C@@H](N)Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.55
ABCC3 O15438 1/20 0.55
ABCC4 O15439 1/20 0.55
ABCB11 O95342 1/20 0.55
PGR P06401 1/20 0.55
ABCB1 P08183 1/20 0.55
CYP3A4 P08684 1/20 0.55
CHRM1 P11229 1/20 0.55
TBXA2R P21731 1/20 0.55
ADRA1A P35348 1/20 0.55
OPRM1 P35372 1/20 0.55
HTR2B P41595 1/20 0.55
KCNH2 Q12809 1/20 0.55
SCN5A Q14524 1/20 0.55
ABCG2 Q9UNQ0 1/20 0.55
KMT2A Q03164 3/20 0.53
SCN4A P35499 2/20 0.52
TP53 P04637 1/20 0.47
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.44

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
SCHEMBL10031780 1.00 ADORA3 (0.55) ADORA3ABCC3ABCC4ABCB11PGR
SCHEMBL7387546 1.00 ADORA3 (0.55) ADORA3ABCC3ABCC4ABCB11PGR
SCHEMBL7600467 1.00 ADORA3 (0.55) ADORA3ABCC3ABCC4ABCB11PGR
SCHEMBL672415 1.00 ADORA3 (0.55) ADORA3ABCC3ABCC4ABCB11PGR
SCHEMBL7810245 1.00 ADORA3 (0.55) ADORA3ABCC3ABCC4ABCB11PGR
SCHEMBL5838534 0.95 ABCC3 (0.55) ADORA3ABCC3ABCC4ABCB11PGR
SCHEMBL4956494 0.89 CYP3A4 (0.57) ADORA3ABCC3ABCC4ABCB11PGR
SCHEMBL5373760 0.89 ABCC3 (0.47) ADORA3ABCC3ABCC4ABCB11PGR
SCHEMBL13536317 0.88 ABCC3 (0.58) ADORA3ABCC3ABCC4ABCB11PGR
SCHEMBL30261823 0.88 ABCC3 (0.65) ADORA3ABCC3ABCC4ABCB11PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220380320-A1 PHARMACEUTICAL COMPOSITION FOR TREATING OR PREVENTING MIDDLE EAST RESPIRATORY SYNDROME GYEONGGIDO BUSINESS & SCIENCE ACCELERATOR (KR) 2022-12-01 US disclosed
WO-2020159343-A1 PHARMACEUTICAL COMPOSITION FOR TREATING OR PREVENTING MIDDLE EAST RESPIRATORY SYNDROME 재단법인 경기도경제과학진흥원 2020-08-06 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-20220380320-A1 PHARMACEUTICAL COMPOSITION FOR TREATING OR PREVENTING MIDDLE EAST RESPIRATORY SYNDROME ACE, ACE2, SARS1 ADORA3 1688/4885ABCC3 850/4885ABCC4 1261/4885

“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.