SCHEMBL6132502

SCHEMBL6132502

NNC(=O)c1ccc(N2CCN(C3CCC(c4ccccc4)CC3)CC2)cc1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.51
ALDH1A1 P00352 6/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
ITGB3 P05106 1/20 0.51
ITGA2B P08514 1/20 0.51
TRPV6 Q9H1D0 5/20 0.50
ALOX15 P16050 1/20 0.50
RECQL P46063 1/20 0.49
LMNA P02545 2/20 0.46
MAPT P10636 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 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
Hydrochloric Acid SCHEMBL7333163 0.85 KDM4E (0.55) KDM4EALDH1A1MEN1KMT2AITGB3
SCHEMBL6134717 0.83 ITGB3 (0.52) KDM4EALDH1A1MEN1KMT2AITGB3
SCHEMBL6132215 0.83 KDM4E (0.53) KDM4EALDH1A1MEN1KMT2ATRPV6
SCHEMBL6132283 0.83 MEN1 (0.55) KDM4EMEN1KMT2AITGB3ITGA2B
SCHEMBL6134192 0.82 ITGB3 (0.51) KDM4EMEN1KMT2AITGB3ITGA2B
SCHEMBL6135305 0.81 HRH3 (0.51) MEN1KMT2AITGB3ITGA2BALOX15
SCHEMBL6132342 0.81 ALDH1A1 (0.54) KDM4EALDH1A1MEN1KMT2ATRPV6
SCHEMBL8763850 0.80 GRIN2B (0.63) KDM4EALDH1A1KMT2ATRPV6MAPT
SCHEMBL8763848 0.80 GRIN2B (0.63) KDM4EALDH1A1KMT2ATRPV6MAPT
SCHEMBL3085835 0.77 AOC2 (0.59) KDM4EALDH1A1MEN1KMT2AITGB3

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 4 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
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 KDM4E 4687/4885ALDH1A1 4718/4885MEN1 1517/4885

“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.