SCHEMBL3835004

SCHEMBL3835004

CCCCOP(OCCCC)N(CC)CC

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
ALDH1A1 P00352 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30

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
SCHEMBL21397877 0.80 ADRB2 (0.36) ADRB2ADRB1ADRB3CYP3A4TSHR
SCHEMBL3835007 0.76 TSHR (0.34) ADRB2ADRB1ADRB3CYP3A4TSHR
SCHEMBL14021471 0.73 ADRB2 (0.31) ADRB2ADRB1ADRB3CA1CA2
SCHEMBL3634742 0.71 ADRB2 (0.33) ADRB2ADRB1ADRB3CYP3A4TSHR
SCHEMBL12314357 0.70 ALDH1A1 (0.32) ADRB2ADRB1ADRB3ALDH1A1CA1
SCHEMBL223099 0.69 ADRB2 (0.45) ADRB2ADRB1ADRB3CYP3A4TSHR
SCHEMBL9719492 0.69 ADRB2 (0.45) ADRB2ADRB1ADRB3CYP3A4TSHR
Trimethylammonium SCHEMBL28169641 0.69 ADRB2 (0.39) ADRB2ADRB1ADRB3CYP3A4TSHR
SCHEMBL7639823 0.67 ADRB2 (0.43) ADRB2ADRB1ADRB3CYP3A4TSHR
SCHEMBL11594064 0.67 ADRB2 (0.43) ADRB2ADRB1ADRB3CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025228947-A1 BIFUNCTIONAL COMPOUNDS CAPABLE OF INDUCING DEGRADATION OF POLO-LIKE KINASE1 CROSSFIRE ONCOLOGY B.V. (NL) 2025-11-06 WO disclosed
EP-3716982-A1 ANTI-CD40 ANTIBODY DRUG CONJUGATES AbbVie Inc. (US) 2020-10-07 EP disclosed
EP-2714092-B1 IMMUNOCONJUGATES, COMPOSITIONS CONTAINING THEM, AND METHODS OF MAKING AND USE BRISTOL MYERS SQUIBB CO (US) 2020-07-15 EP disclosed
US-20160046576-A1 NOVEL PYRROLE DERIVATIVES UNIV LEICESTER (GB) 2016-02-18 US disclosed
US-9221756-B2 Pyrrole derivatives UNIVERSITY OF LEICESTER (GB) 2015-12-29 US disclosed
US-20140364585-A1 IMMUNOCONJUGATES, COMPOSITIONS FOR MAKING THEM, AND METHODS OF MAKING AND USE BRISTOL-MYERS SQUIBB COMPANY 2014-12-11 US disclosed
US-20140309193-A1 NOVEL PYRROLE DERIVATIVES UNIVERSITY OF LEICESTER (GB) 2014-10-16 US disclosed
WO-2013083975-A2 NOVEL PYRROLE DERIVATIVES UNIVERSITY OF LEICESTER (GB) 2013-06-13 WO disclosed
WO-2013012416-A1 PROCESS FOR PREPARING PHOSPHORYLATED AMINO ACIDS CEPHALON, INC. (US) 2013-01-24 WO disclosed
WO-2013012846-A1 PROCESS FOR PREPARING PHOSPHORYLATED AMINO ACIDS CEPHALON, INC. (US) 2013-01-24 WO disclosed
WO-2012162482-A1 IMMUNOCONJUGATES, COMPOSITIONS CONTAINING THEM, AND METHODS OF MAKING AND USE BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-29 WO disclosed
EP-2102201-A2 SUBSTITUTED DIAZEPINE SULFONAMIDES AS BOMBESIN RECEPTOR SUBTYPE-3 MODULATORS Merck & Co., Inc. (US) 2009-09-23 EP disclosed
WO-2008073311-A2 SUBSTITUTED DIAZEPINE SULFONAMIDES AS BOMBESIN RECEPTOR SUBTYPE-3 MODULATORS MERCK & CO., INC. (US) 2008-06-19 WO disclosed
EP-1742911-A1 3,4-DISUBSTITUTED MALEIMIDES FOR USE AS VASCULAR DAMAGING AGENTS AstraZeneca AB (SE) 2007-01-17 EP disclosed
WO-2005102997-A1 3,4-DISUBSTITUTED MALEIMIDES FOR USE AS VASCULAR DAMAGING AGENTS ASTRAZENECA AB (SE) 2005-11-03 WO disclosed
EP-0468998-A1 PEPTIDES HAVING NOVEL POLAR N-TERMINAL GROUPS THE UPJOHN COMPANY (US) 1992-02-05 EP disclosed
WO-1990012804-A2 PEPTIDES HAVING NOVEL POLAR N-TERMINAL GROUPS THE UPJOHN COMPANY (US) 1990-11-01 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 (3 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-20140364585-A1 IMMUNOCONJUGATES, COMPOSITIONS FOR MAKING THEM, AND METHODS OF MAKING AND USE TOP1, TOP2B, OGG1 ADRB2 4658/4885ADRB1 4384/4885ADRB3 4403/4885
US-20160046576-A1 NOVEL PYRROLE DERIVATIVES PYCR1, ARG1, PNISR ADRB2 2709/4885ADRB1 1773/4885ADRB3 2641/4885
US-20140309193-A1 NOVEL PYRROLE DERIVATIVES PYCR1, ARG1, PNISR ADRB2 2709/4885ADRB1 1773/4885ADRB3 2641/4885

“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.