SCHEMBL4397958

SCHEMBL4397958

C#Cc1cccc(C(=O)N2CCC(c3cccc(CN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c3)CC2)c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.42
LMNA P02545 1/20 0.39
PARP14 Q460N5 2/20 0.38
PARP10 Q53GL7 2/20 0.38
TPSAB1 Q15661 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
KCNH2 Q12809 1/20 0.37
RBP4 P02753 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MGLL Q99685 1/20 0.37
PARP1 P09874 1/20 0.37

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
SCHEMBL4399211 0.90 ACACB (0.46) ACACBPARP14PARP10MEN1KMT2A
SCHEMBL4405636 0.88 ACACB (0.46) ACACBLMNA
SCHEMBL4405464 0.86 ACACB (0.42) ACACBLMNAPARP14PARP10TPSAB1
SCHEMBL4404678 0.86 GRM5 (0.49) ACACBPARP14PARP10TPSAB1
SCHEMBL4404848 0.84 LMNA (0.41) LMNAPARP14PARP10CYP3A4KCNH2
SCHEMBL4398493 0.83 EPHX2 (0.43) LMNAPARP14KMT2A
SCHEMBL4405962 0.83 GRM5 (0.40) ACACBTPSAB1
SCHEMBL4403349 0.83 LMNA (0.44) LMNAPARP14PARP10TPSAB1PARP1
SCHEMBL4404682 0.82 TPSAB1 (0.42) TPSAB1
SCHEMBL4406792 0.82 JAK2 (0.41) TPSAB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1296972-B1 ARYLMETHYLAMINE DERIVATIVES FOR USE AS TRYPTASE INHIBITORS AVENTIS PHARMA INC (US) 2009-12-23 EP disclosed
US-6977263-B2 Chemical compounds AVENTIS PHARMACEUTICALS INC. (US) 2005-12-20 US disclosed
US-20050228018-A1 Chemical compounds AVENTIS PHARMACEUTICALS INC. (US) 2005-10-13 US disclosed
US-20030187020-A1 Chemical compounds AVENTISUB LLC 2003-10-02 US disclosed
EP-1296972-A1 ARYLMETHYLAMINE DERIVATIVES FOR USE AS TRYPTASE INHIBITORS Aventis Pharmaceuticals Inc. (US) 2003-04-02 EP disclosed
WO-2001090101-A1 ARYLMETHYLAMINE DERIVATIVES FOR USE AS TRYPTASE INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2001-11-29 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 (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-20050228018-A1 Chemical compounds CMA1, TPSB2, TPSG1 ACACB 966/4885LMNA 2245/4885PARP14 1968/4885
US-20030187020-A1 Chemical compounds CMA1, TPSB2, TPSG1 ACACB 966/4885LMNA 2245/4885PARP14 1968/4885

“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.