SCHEMBL5848727

SCHEMBL5848727

CC(C)CCC(=O)C(NC(=O)c1ccccc1)N1CCCc2ccccc2C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.47
KMT2A Q03164 6/20 0.46
MAPT P10636 4/20 0.46
ALDH1A1 P00352 3/20 0.46
HTT P42858 2/20 0.46
TSHR P16473 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
PRMT5 O14744 2/20 0.43
WDR77 Q9BQA1 2/20 0.43
ACE P12821 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
CYP1A2 P05177 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
MEN1 O00255 3/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
NAMPT P43490 3/20 0.39
RECQL P46063 1/20 0.39

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
SCHEMBL5848552 0.90 BACE1 (0.41) POLBKMT2AMAPTALDH1A1HTT
SCHEMBL5850038 0.88 TAOK1 (0.49) POLBKMT2AHTTPRMT5WDR77
SCHEMBL5848775 0.86 GPR132 (0.46) KMT2AMAPTALDH1A1HTTTSHR
SCHEMBL5850381 0.85 HRH3 (0.47) POLBKMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL5850016 0.81 GAA (0.48) KMT2AALDH1A1TSHRSMN1; SMN2MEN1
SCHEMBL5848665 0.80 MAPT (0.47) POLBKMT2AMAPTALDH1A1HTT
SCHEMBL5848719 0.72 POLB (0.52) POLBKMT2AMAPTALDH1A1PRMT5
SCHEMBL5850500 0.70 TAOK1 (0.46) POLBKMT2AMAPTHTTACE
SCHEMBL12533128 0.66 HRH3 (0.50) KMT2AMAPTALDH1A1TSHRMEN1
SCHEMBL26443248 0.65 HTR1A (0.56) KMT2AMAPTALDH1A1TSHRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030162964-A1 Benzene-fused heterocycle derivatives and drugs containing the same as the active ingredient NOKIA CORPORATION (FI) 2003-08-28 US claimed
EP-1254898-A1 BENZENE-FUSED HETEROCYCLE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2002-11-06 EP claimed
US-7008938-B2 Benzene-fused heteroring derivatives and pharmaceutical agents comprising the same as active ingredient NOKIA CORPORATION (FI) 2006-03-07 US disclosed
US-20050009755-A1 Benzene-fused heteroring derivatives and pharmaceutical agents comprising the same as active ingredient ONO PHARMACEUTICAL CO., LTD. 2005-01-13 US disclosed
US-6809092-B2 1,3,4,5-TETRAHYDRO-2H-2-BENZAZEPIN-2-YL DERIVATIVES; CYSTEINE PROTEASE INHIBITORS ONO PHARMACEUTICAL CO., LTD. (JP) 2004-10-26 US disclosed
US-20030162964-A1 Benzene-fused heterocycle derivatives and drugs containing the same as the active ingredient NOKIA CORPORATION (FI) 2003-08-28 US disclosed
EP-1254898-A1 BENZENE-FUSED HETEROCYCLE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2002-11-06 EP 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-20030162964-A1 Benzene-fused heterocycle derivatives and drugs containing the same as the active ingredient BACH1, BACE1, CMA1 POLB 1900/4885KMT2A 4469/4885MAPT 1540/4885
US-20050009755-A1 Benzene-fused heteroring derivatives and pharmaceutical agents comprising the same as active ingredient BACE1, BACE2, CBS POLB 1435/4885KMT2A 4517/4885MAPT 955/4885

“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.