SCHEMBL5787693

SCHEMBL5787693

COc1cc2c(cc1OC)/C(=C(/Nc1ccc(CCN3CCC(C(=O)O)CC3)cc1)c1ccccc1)C(=O)N2

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 13/20 0.47
ABCG2 Q9UNQ0 11/20 0.47
RET P07949 1/20 0.42
HTR2A P28223 1/20 0.41
ACHE P22303 1/20 0.41
BACE1 P56817 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
SCHEMBL5787695 1.00 ABCB1 (0.47) ABCB1ABCG2RETHTR2AACHE
SCHEMBL5787208 0.92 ABCB1 (0.44) ABCB1ABCG2RETHTR2AACHE
SCHEMBL5787213 0.92 ABCB1 (0.44) ABCB1ABCG2RETHTR2AACHE
SCHEMBL5785864 0.92 DRD3 (0.42) ABCB1ABCG2HTR2A
SCHEMBL5785869 0.92 DRD3 (0.42) ABCB1ABCG2HTR2A
SCHEMBL5785452 0.92 THRB (0.46) ABCB1ABCG2
SCHEMBL5785456 0.92 THRB (0.46) ABCB1ABCG2
SCHEMBL5782825 0.89 ABCB1 (0.48) ABCB1ABCG2RETACHE
SCHEMBL5782830 0.89 ABCB1 (0.48) ABCB1ABCG2RETACHE
SCHEMBL5785786 0.89 ABCB1 (0.48) ABCB1ABCG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1212318-B1 SUBSTITUTED INDOLINONES AS TYROSINE KINASE INHIBITORS BOEHRINGER INGELHEIM PHARMA (DE) 2006-01-25 EP disclosed
US-20050009898-A1 New substituted indolinones, their manufacture and their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-01-13 US disclosed
US-6794395-B1 Substituted indolinones, their manufacture and their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-09-21 US disclosed
EP-1212318-A1 SUBSTITUTED INDOLINONES AS TYROSINE KINASE INHIBITORS Boehringer Ingelheim Pharma KG (DE) 2002-06-12 EP disclosed
WO-2001016130-A1 SUBSTITUTED INDOLINONES AS TYROSINE KINASE INHIBITORS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-03-08 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-20050009898-A1 New substituted indolinones, their manufacture and their use as medicaments CCNE1, CDK1, CCNI ABCB1 435/4885ABCG2 196/4885RET 154/4885

“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.