SCHEMBL6135560

SCHEMBL6135560

NNC(=O)c1ccc(OC2CCN(c3ccccc3)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 4/20 0.53
NAMPT P43490 1/20 0.51
SRD5A1 P18405 1/20 0.50
ACACB O00763 1/20 0.50
USP5 P45974 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
FFAR1 O14842 1/20 0.48
HRH3 Q9Y5N1 2/20 0.47
HRH1 P35367 1/20 0.47
CCR3 P51677 1/20 0.47
KCNH2 Q12809 1/20 0.47
OPRM1 P35372 2/20 0.46
OPRD1 P41143 2/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
RAB9A P51151 2/20 0.46
EPHX2 P34913 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
SCHEMBL31162733 0.95 FFAR4 (0.59) FFAR4NAMPTSRD5A1ACACBUSP5
SCHEMBL6135141 0.88 CA1 (0.58) ACACBHRH3ALDH1A1LMNAMEN1
SCHEMBL6135055 0.83 ACACB (0.49) FFAR4NAMPTSRD5A1ACACBHDAC8
SCHEMBL24653528 0.82 CA1 (0.58) HRH3ALDH1A1LMNARAB9AEPHX2
SCHEMBL5640035 0.81 HRH3 (0.54) HRH3RAB9A
SCHEMBL31162796 0.81 HDAC6 (0.51) HDAC6EPHX2
SCHEMBL31162708 0.81 EPHX2 (0.47) FFAR4ALDH1A1KMT2ARAB9AEPHX2
SCHEMBL31162587 0.81 SCN9A (0.47) FFAR4HDAC8HDAC6ALDH1A1
SCHEMBL6135447 0.80 ALDH1A1 (0.55) FFAR4NAMPTSRD5A1ACACBFFAR1
SCHEMBL31162698 0.80 HRH1 (0.45) FFAR4NAMPTHDAC6HRH1CCR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050261177-A1 Compound ASTELLAS PHARMA INC. (JP) 2005-11-24 US disclosed
EP-1366066-A2 CYCLOHEXAPEPTIDE HAVING ANTIMICROBIAL ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-12-03 EP disclosed
WO-2002072621-A2 CYCLOHEXAPEPTIDE HAVING ANTIMICROBIAL ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-09-19 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 (1 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-20050261177-A1 Compound MANBA, MAN2B1, MAN2A1 FFAR4 4797/4885NAMPT 1412/4885SRD5A1 1075/4885

“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.