SCHEMBL13009607

SCHEMBL13009607

N#CCc1ccccc1OCc1ccc(CCc2ccccc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.68
DRD2 P14416 4/20 0.68
ABCB1 P08183 9/20 0.58
ABCG2 Q9UNQ0 2/20 0.52
PTGER1 P34995 1/20 0.51
PTGER4 P35408 1/20 0.51
PTGER3 P43115 1/20 0.51
PTGER2 P43116 1/20 0.51
TRPV6 Q9H1D0 1/20 0.47
GAA P10253 1/20 0.47
MAPK1 P28482 2/20 0.46
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
ATP4A P20648 1/20 0.46
ATP4B P51164 1/20 0.46
BLM P54132 1/20 0.46
PMP22 Q01453 1/20 0.46

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
SCHEMBL3150720 0.94 HTR1A (0.61) HTR1ADRD2ABCB1GAAMAPK1
SCHEMBL2994273 0.88 CARM1 (0.51) HTR1ADRD2ABCB1PTGER1PTGER4
SCHEMBL3999884 0.83 DRD2 (0.53) HTR1ADRD2ABCB1PTGER1PTGER4
SCHEMBL4183309 0.81 HTR1A (1.00) HTR1ADRD2ABCB1ABCG2PTGER1
SCHEMBL3178663 0.81 HTR1A (0.67) HTR1ADRD2ABCB1ABCG2PTGER1
SCHEMBL31482951 0.79 L3MBTL1 (0.48) HTR1ADRD2ABCB1ABCG2PTGER1
SCHEMBL22357315 0.79 L3MBTL1 (0.48) HTR1ADRD2ABCB1ABCG2PTGER1
SCHEMBL28104163 0.79 FFAR1 (0.45) HTR1ADRD2PTGER1MAPK1MEN1
SCHEMBL13009602 0.79 HTR1A (0.74) HTR1ADRD2ABCB1ABCG2PTGER1
SCHEMBL8322313 0.78 HTR1A (0.63) HTR1ADRD2ABCB1ABCG2PTGER1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100317854-A1 NOVEL AMINODICARBOXYLIC ACID DERIVATIVES HAVING PHARMACEUTICAL PROPERTIES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-12-16 US disclosed
US-20100317854-A1 NOVEL AMINODICARBOXYLIC ACID DERIVATIVES HAVING PHARMACEUTICAL PROPERTIES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-12-16 US disclosed
US-7781470-B2 Aminodicarboxylic acid derivatives having pharmaceutical properties BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-08-24 US disclosed
US-7781470-B2 Aminodicarboxylic acid derivatives having pharmaceutical properties BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-08-24 US disclosed
US-20090203906-A1 NOVEL AMINODICARBOXYLIC ACID DERIVATIVES HAVING PHARMACEUTICAL PROPERTIES BAYER AKTIENGESELLSCHAFT (DE) 2009-08-13 US disclosed
US-20090203906-A1 NOVEL AMINODICARBOXYLIC ACID DERIVATIVES HAVING PHARMACEUTICAL PROPERTIES BAYER AKTIENGESELLSCHAFT (DE) 2009-08-13 US disclosed
US-7517896-B2 Aminodicarboxylic acid derivatives having pharmaceutical properties BAYER AKTIENGESELLSCHAFT (DE) 2009-04-14 US disclosed
US-7517896-B2 Aminodicarboxylic acid derivatives having pharmaceutical properties BAYER AKTIENGESELLSCHAFT (DE) 2009-04-14 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-20090203906-A1 NOVEL AMINODICARBOXYLIC ACID DERIVATIVES HAVING PHARMACEUTICAL PROPERTIES DDC, AADAT, PTGIS HTR1A 1924/4885DRD2 2331/4885ABCB1 967/4885
US-20100317854-A1 NOVEL AMINODICARBOXYLIC ACID DERIVATIVES HAVING PHARMACEUTICAL PROPERTIES DDC, AADAT, PTGIS HTR1A 1924/4885DRD2 2331/4885ABCB1 967/4885

“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.