SCHEMBL6338906

SCHEMBL6338906

CCC(Nc1ccc(CCN2CCC(C(=O)O)CC2)cc1)=C1C(=O)Nc2cc(OC)c(OC)cc21

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 11/20 0.41
ABCG2 Q9UNQ0 8/20 0.41
RET P07949 1/20 0.39
HTR2A P28223 1/20 0.39
GRM2 Q14416 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
OPRM1 P35372 2/20 0.38
OPRD1 P41143 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
SCHEMBL6338894 1.00 ABCB1 (0.41) ABCB1ABCG2RETHTR2AGRM2
SCHEMBL6332932 0.91 L3MBTL1 (0.48) SMN1; SMN2
SCHEMBL6333056 0.91 ABCB1 (0.38) ABCB1ABCG2HTR2AGRM2SMN1; SMN2
SCHEMBL6332927 0.91 L3MBTL1 (0.48) SMN1; SMN2
SCHEMBL6333060 0.91 ABCB1 (0.38) ABCB1ABCG2HTR2AGRM2SMN1; SMN2
SCHEMBL6778061 0.91 ABCB1 (0.38) ABCB1ABCG2HTR2AGRM2SMN1; SMN2
SCHEMBL6340195 0.88 ACHE (0.42) ABCB1ABCG2
SCHEMBL6340187 0.88 ACHE (0.42) ABCB1ABCG2
SCHEMBL5787693 0.87 ABCB1 (0.47) ABCB1ABCG2RETHTR2A
SCHEMBL5787695 0.87 ABCB1 (0.47) ABCB1ABCG2RETHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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.