SCHEMBL3915484

SCHEMBL3915484

CN1CCCN(C(=O)Cc2cccc(CC(C)(C)NCC(O)c3cc(O)cc(O)c3)c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 13/20 0.45
L3MBTL1 Q9Y468 1/20 0.42
POLB P06746 1/20 0.41
ADRB3 P13945 2/20 0.41
LMNA P02545 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
CASP7 P55210 1/20 0.40
KMT2A Q03164 1/20 0.40
HIF1A Q16665 1/20 0.40
CHRM1 P11229 1/20 0.39
ADRB1 P08588 1/20 0.39

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
SCHEMBL3913331 0.97 ADRB2 (0.47) ADRB2POLBADRB3LMNACYP3A4
SCHEMBL6506995 0.93 ADRB2 (0.47) ADRB2L3MBTL1POLBADRB3ADRB1
SCHEMBL3918574 0.92 ADRB2 (0.46) ADRB2POLBLMNACYP3A4CYP2C9
SCHEMBL3913917 0.92 ADRB2 (0.49) ADRB2POLBLMNACYP3A4CYP2C9
SCHEMBL3913912 0.90 ADRB2 (0.47) ADRB2POLBLMNACYP3A4CYP2C9
SCHEMBL6533340 0.90 ADRB2 (0.49) ADRB2POLBADRB3ADRB1
SCHEMBL3992464 0.90 ADRB2 (0.49) ADRB2POLBLMNACYP3A4CYP2C9
SCHEMBL3912467 0.88 ADRB2 (0.47) ADRB2LMNACYP3A4CYP2C9TSHR
SCHEMBL3923032 0.87 ADRB2 (0.47) ADRB2POLBLMNACYP3A4CYP2C9
SCHEMBL3917083 0.86 ADRB2 (0.45) ADRB2L3MBTL1POLBLMNACYP3A4

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 639/4885L3MBTL1 3963/4885POLB 1003/4885

“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.