SCHEMBL3924997

SCHEMBL3924997

COc1ccc(CCNC(=O)c2cccc(CC(C)(C)NCC(O)c3cc(O)cc(O)c3)c2)c(C)c1C

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 9/20 0.42
▸ NPC1 O15118 3/20 0.42
▸ RAB9A P51151 3/20 0.42
▸ ROCK2 O75116 2/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ ROCK1 Q13464 1/20 0.40
▸ PARP1 P09874 4/20 0.39
▸ ADRB1 P08588 2/20 0.38

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
SCHEMBL13840712 1.00 ADRB2 (0.42) ADRB2NPC1RAB9AROCK2SMN1; SMN2
SCHEMBL5968659 0.88 ADRB2 (0.58) ADRB2ADRB1
SCHEMBL5968662 0.88 ADRB2 (0.58) ADRB2ADRB1
SCHEMBL13840707 0.87 ADRB2 (0.43) ADRB2NPC1RAB9ASMN1; SMN2CYP3A4
SCHEMBL3916802 0.87 ADRB2 (0.43) ADRB2NPC1RAB9ASMN1; SMN2CYP3A4
SCHEMBL13840706 0.82 PARP1 (0.46) ADRB2PARP1ADRB1
SCHEMBL3914423 0.82 PARP1 (0.46) ADRB2PARP1ADRB1
SCHEMBL13840708 0.81 ADRB2 (0.45) ADRB2ADRB1
SCHEMBL3918580 0.81 ADRB2 (0.45) ADRB2ADRB1
SCHEMBL3924678 0.80 PARP1 (0.44) ADRB2NPC1RAB9ACYP3A4CYP2C9

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 639/4885NPC1 111/4885RAB9A 2362/4885

“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.

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