SCHEMBL3916213

SCHEMBL3916213

CN(Cc1ccccc1)C(=O)Cc1cccc(CC(C)(C)NCC(O)c2cc(O)cc(O)c2)c1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 17/20 0.52
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
LMNA P02545 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
CASP7 P55210 1/20 0.43
KMT2A Q03164 1/20 0.43
HIF1A Q16665 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
SCHEMBL3916515 0.90 ADRB2 (0.51) ADRB2
SCHEMBL3922989 0.87 ADRB2 (0.47) ADRB2BCHEACHELMNACYP3A4
SCHEMBL3917106 0.87 ADRB2 (0.51) ADRB2BCHEACHE
SCHEMBL3924759 0.86 ADRB2 (0.48) ADRB2BCHEACHELMNACYP3A4
SCHEMBL3914771 0.85 ADRB2 (0.56) ADRB2LMNACYP3A4CYP2C9TSHR
SCHEMBL4386788 0.85 ADRB2 (0.73) ADRB2TSHRHIF1A
SCHEMBL4386786 0.85 ADRB2 (0.73) ADRB2TSHRHIF1A
SCHEMBL3924758 0.85 ADRB2 (0.57) ADRB2BCHEACHELMNACYP3A4
SCHEMBL6507473 0.84 ADRB2 (0.58) ADRB2
SCHEMBL4114173 0.83 RAB9A (0.40) ADRB2LMNACYP3A4CYP2C9KMT2A

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
EP-1730141-B1 COMPOUNDS FOR THE TREATMENT OF DISEASES PFIZER LTD (GB) 2009-05-27 EP claimed
EP-1730141-B1 COMPOUNDS FOR THE TREATMENT OF DISEASES PFIZER LTD (GB) 2009-05-27 EP disclosed
US-7538141-B2 Compounds for the treatment of diseases PFIZER INC. 2009-05-26 US disclosed
US-20050222128-A1 Compounds for the treatment of diseases PFIZER INC 2005-10-06 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-20050222128-A1 Compounds for the treatment of diseases LTC4S, LTB4R2, CYP11B2 ADRB2 639/4885BCHE 520/4885ACHE 598/4885

“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.