SCHEMBL2889904

SCHEMBL2889904

N#CCc1cc2c(cc1OCc1ccc(Br)cc1)CCCC2

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.42
MAOA P21397 5/20 0.42
CCR5 P51681 6/20 0.38
NPC1 O15118 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
XDH P47989 1/20 0.37
HPD P32754 2/20 0.36
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL2884770 0.82 MAOB (0.45) MAOBMAOACCR5NPC1HTT
SCHEMBL2888058 0.82 MAOB (0.45) MAOBMAOACCR5NPC1HTT
SCHEMBL2889943 0.80 CCR5 (0.44) MAOBMAOACCR5NPC1HTT
SCHEMBL1668610 0.73 CCR5 (0.58) CCR5HTTRAB9ASMN1; SMN2LMNA
SCHEMBL6700872 0.72 MAOB (0.47) MAOBMAOACCR5SMN1; SMN2XDH
SCHEMBL13384688 0.69 HTR2A (0.46) MAOBMAOAHTTSMN1; SMN2LMNA
SCHEMBL2888586 0.68 MAPT (0.49) MAOBMAOACCR5NPC1RAB9A
SCHEMBL22918085 0.68 KDM1A (0.43) MAOBRAB9ASMN1; SMN2
SCHEMBL29660949 0.68 KDM1A (0.43) MAOBRAB9ASMN1; SMN2
SCHEMBL6932494 0.66 MAOB (0.49) MAOBMAOANPC1RAB9ASMN1; 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-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 MAOB 3358/4885MAOA 2829/4885CCR5 2730/4885
US-20070179139-A1 Substituted aminodicarboxylic acid derivatives having pharmaceutical properties ACMSD, AADAT, DDC MAOB 924/4885MAOA 975/4885CCR5 1881/4885

“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.