SCHEMBL6132305

SCHEMBL6132305

CCC1CCC(N2CCN(c3ccc(-c4ccc(C(=O)OC)cc4)cc3)CC2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.56
ALDH1A1 P00352 4/20 0.48
DRD2 P14416 1/20 0.48
DRD4 P21917 1/20 0.48
ITGB3 P05106 1/20 0.45
ITGA2B P08514 1/20 0.45
ALOX15 P16050 1/20 0.44
TSHR P16473 2/20 0.43
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 3/20 0.43
TDP1 Q9NUW8 1/20 0.43
HTT P42858 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
MBTD1 Q05BQ5 1/20 0.41
TP53BP1 Q12888 1/20 0.41
L3MBTL4 Q8NA19 1/20 0.41

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
SCHEMBL6132443 1.00 KMT2A (0.56) KMT2AMEN1ALDH1A1DRD2DRD4
SCHEMBL6132302 1.00 KMT2A (0.56) KMT2AMEN1ALDH1A1DRD2DRD4
SCHEMBL6134606 0.87 KMT2A (0.53) KMT2AMEN1ALDH1A1DRD2DRD4
SCHEMBL6134695 0.87 KMT2A (0.53) KMT2AMEN1ALDH1A1DRD2DRD4
SCHEMBL6134608 0.87 KMT2A (0.53) KMT2AMEN1ALDH1A1DRD2DRD4
SCHEMBL6132496 0.87 KMT2A (0.59) KMT2AMEN1ALDH1A1ITGB3ITGA2B
SCHEMBL6132491 0.87 KMT2A (0.59) KMT2AMEN1ALDH1A1ITGB3ITGA2B
SCHEMBL6132600 0.87 KMT2A (0.59) KMT2AMEN1ALDH1A1ITGB3ITGA2B
SCHEMBL7317032 0.85 ALDH1A1 (0.52) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL6132707 0.85 KMT2A (0.70) KMT2AMEN1ALDH1A1DRD2DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6884774-B2 Cyclic hexapeptide derivatives FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2005-04-26 US disclosed
EP-1259535-B1 CYCLIC HEXAPEPTIDE DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 2005-04-13 EP disclosed
US-20030083238-A1 Cyclic hexapeptide derivatives ASTELLAS PHARMA INC. (JP) 2003-05-01 US disclosed
EP-1259535-A1 CYCLIC HEXAPEPTIDE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-27 EP disclosed
WO-2001060846-A1 CYCLIC HEXAPEPTIDE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-08-23 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-20030083238-A1 Cyclic hexapeptide derivatives NGLY1, ALG1, CHIT1 KMT2A 4695/4885MEN1 1517/4885ALDH1A1 4718/4885

“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.