SCHEMBL2884646

SCHEMBL2884646

COC(=O)CCCCN(CCc1cc2c(cc1OCc1ccc(Br)cc1)CCCC2)Cc1ccc(C(=O)OC)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 1/20 0.38
SMPD1 P17405 1/20 0.38
MAPT P10636 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
LMNA P02545 1/20 0.35
RAB9A P51151 1/20 0.35
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
STAT3 P40763 1/20 0.34
HTT P42858 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33

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
SCHEMBL2890512 0.90 MTNR1B (0.38) MAPTSMN1; SMN2CYP1A2CYP3A4CYP2C9
SCHEMBL2884334 0.88 PTPN1 (0.36) MAPTRAB9AALDH1A1KDM4EHPGD
SCHEMBL13009545 0.85 LMNA (0.42) CCR5SMPD1MAPTL3MBTL1LMNA
SCHEMBL13009731 0.84 MAPT (0.39) MAPTSMN1; SMN2L3MBTL1LMNARAB9A
SCHEMBL2995656 0.79 LMNA (0.44) CCR5MAPTL3MBTL1LMNARAB9A
SCHEMBL13009643 0.78 MAPT (0.43) MAPTSMN1; SMN2CYP1A2CYP3A4CYP2C9
SCHEMBL6703961 0.78 PTGER1 (0.37) CCR5SMPD1MAPTSMN1; SMN2CYP1A2
SCHEMBL13009658 0.78 LMNA (0.45) MAPTSMN1; SMN2CYP1A2CYP3A4CYP2C9
SCHEMBL2993035 0.78 PTGER1 (0.49) MAPTL3MBTL1LMNARAB9AMEN1
SCHEMBL2890267 0.77 HTR2A (0.47) CCR5SMPD1MAPTSMN1; SMN2CYP1A2

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-7705043-B2 Substituted aminodicarboxylic acid derivatives having pharmaceutical properties BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-27 US disclosed
US-7705043-B2 Substituted aminodicarboxylic acid derivatives having pharmaceutical properties BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-27 US disclosed
US-7705043-B2 Substituted aminodicarboxylic acid derivatives having pharmaceutical properties BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-27 US disclosed
US-20070179139-A1 Substituted aminodicarboxylic acid derivatives having pharmaceutical properties BAYER AKTIENGESELLSCHAFT (DE) 2007-08-02 US disclosed
US-20070179139-A1 Substituted aminodicarboxylic acid derivatives having pharmaceutical properties BAYER AKTIENGESELLSCHAFT (DE) 2007-08-02 US disclosed
US-20070179139-A1 Substituted aminodicarboxylic acid derivatives having pharmaceutical properties BAYER AKTIENGESELLSCHAFT (DE) 2007-08-02 US disclosed
US-20040082798-A1 Novel amino dicarboxylic acid derivatives with pharmaceutical properties BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2004-04-29 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-20040082798-A1 Novel amino dicarboxylic acid derivatives with pharmaceutical properties ABAT, BCAT2, GOT1 CCR5 2730/4885SMPD1 2938/4885MAPT 2319/4885
US-20070179139-A1 Substituted aminodicarboxylic acid derivatives having pharmaceutical properties ACMSD, AADAT, DDC CCR5 1881/4885SMPD1 1357/4885MAPT 4199/4885

“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.