SCHEMBL3913331

SCHEMBL3913331

CN1CCN(C(=O)Cc2cccc(CC(C)(C)NCC(O)c3cc(O)cc(O)c3)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 14/20 0.47
ADRB3 P13945 2/20 0.42
LMNA P02545 2/20 0.42
CASP7 P55210 2/20 0.42
KMT2A Q03164 2/20 0.42
HIF1A Q16665 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 1/20 0.42
ADRB1 P08588 1/20 0.41
POLB P06746 1/20 0.41
KDM4E B2RXH2 1/20 0.41
CASP1 P29466 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 1/20 0.41
BLM P54132 1/20 0.41

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
SCHEMBL3915484 0.97 ADRB2 (0.45) ADRB2ADRB3LMNACASP7KMT2A
SCHEMBL3992464 0.92 ADRB2 (0.49) ADRB2LMNACASP7KMT2AHIF1A
SCHEMBL3913912 0.92 ADRB2 (0.47) ADRB2LMNACASP7KMT2AHIF1A
SCHEMBL6533340 0.92 ADRB2 (0.49) ADRB2ADRB3ADRB1POLB
SCHEMBL3913917 0.92 ADRB2 (0.49) ADRB2LMNACASP7KMT2AHIF1A
SCHEMBL3912467 0.91 ADRB2 (0.47) ADRB2LMNACASP7KMT2AHIF1A
SCHEMBL3918574 0.91 ADRB2 (0.46) ADRB2LMNACASP7KMT2AHIF1A
SCHEMBL6506995 0.90 ADRB2 (0.47) ADRB2ADRB3ADRB1POLB
SCHEMBL3923032 0.90 ADRB2 (0.47) ADRB2LMNACASP7KMT2AHIF1A
SCHEMBL3917083 0.89 ADRB2 (0.45) ADRB2LMNACASP7KMT2AHIF1A

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 8 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-A1 COMPOUNDS FOR THE TREATMENT OF DISEASES Pfizer Limited (GB) 2006-12-13 EP claimed
WO-2005092887-A1 COMPOUNDS FOR THE TREATMENT OF DISEASES PFIZER LIMITED (GB) 2005-10-06 WO 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
EP-1730141-A1 COMPOUNDS FOR THE TREATMENT OF DISEASES Pfizer Limited (GB) 2006-12-13 EP disclosed
US-20050222128-A1 Compounds for the treatment of diseases PFIZER INC 2005-10-06 US disclosed
WO-2005092887-A1 COMPOUNDS FOR THE TREATMENT OF DISEASES PFIZER LIMITED (GB) 2005-10-06 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-20050222128-A1 Compounds for the treatment of diseases LTC4S, LTB4R2, CYP11B2 ADRB2 639/4885ADRB3 636/4885LMNA 1540/4885

“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.