SCHEMBL3637629

SCHEMBL3637629

CC(C)(C)OC(=O)NCC1c2ccccc2-c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 1/20 0.47
DRD2 P14416 1/20 0.44
ACACB O00763 3/20 0.43
KDM4A O75164 1/20 0.43
IDO1 P14902 2/20 0.42
KCNA5 P22460 1/20 0.42
KMT2A Q03164 2/20 0.42
ACACA Q13085 2/20 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
SCHEMBL7052087 0.84 KMT2A (0.46) KMT2A
SCHEMBL5557644 0.82 KMT2A (0.60) MALT1IDO1KMT2A
SCHEMBL18982241 0.82 KMT2A (0.49) MALT1KMT2A
SCHEMBL9813388 0.80 KMT2A (0.48) KMT2A
SCHEMBL14769417 0.80 MALT1 (0.46) MALT1DRD2KDM4AIDO1KCNA5
SCHEMBL732427 0.80 KMT2A (0.68) MALT1IDO1KMT2A
SCHEMBL13631378 0.80 KMT2A (0.65) MALT1IDO1KMT2A
SCHEMBL29625033 0.80 KMT2A (0.65) MALT1IDO1KMT2A
SCHEMBL28099492 0.80 KMT2A (0.48) KMT2A
SCHEMBL20603023 0.79 KMT2A (0.49) MALT1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8642591-B2 Composition containing amidine derivatives or carboxamide derivatives and steroids, as a medicament IPSEN PHARMA S.A.S. (FR) 2014-02-04 US disclosed
US-7659266-B2 Amidine derivatives and their applications as a medicament S.C.R.A.S. (FR) 2010-02-09 US disclosed
US-20090149430-A1 COMPOSITION CONTAINING AMIDINE DERIVATIVES OR CARBOXAMIDE DERIVATIVES AND STEROIDS, AS A MEDICAMENT IPSEN PHARMA S.A.S. (FR) 2009-06-11 US disclosed
US-20090018120-A1 AMIDINE DERIVATIVES AND THEIR APPLICATIONS AS A MEDICAMENT SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (FR) 2009-01-15 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 (2 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-20090149430-A1 COMPOSITION CONTAINING AMIDINE DERIVATIVES OR CARBOXAMIDE DERIVATIVES AND STEROIDS, AS A MEDICAMENT MC2R, CYP11B2, NR3C2 MALT1 1683/4885DRD2 1022/4885ACACB 752/4885
US-20090018120-A1 AMIDINE DERIVATIVES AND THEIR APPLICATIONS AS A MEDICAMENT CAPN2, CAPN9, CAPN1 MALT1 4055/4885DRD2 4755/4885ACACB 2563/4885

“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.