SCHEMBL6132470

SCHEMBL6132470

C=C1CCC(N2CCN(c3ccc(-c4nnc(-c5ccc(C(=O)OC)cc5)s4)cc3)CC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.45
ALDH1A1 P00352 4/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
KDM4E B2RXH2 3/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
PDE4D Q08499 1/20 0.40
PDE7A Q13946 1/20 0.40
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
USP2 O75604 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
WNT3A P56704 1/20 0.37
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL6135132 0.90 HRH3 (0.56) HRH3ALDH1A1KMT2AMEN1KDM4E
SCHEMBL6134442 0.89 HRH3 (0.55) HRH3ALDH1A1KMT2AMEN1MAPT
SCHEMBL6134997 0.88 HRH3 (0.47) HRH3ALDH1A1KMT2AMEN1NPC1
Hydrochloric Acid SCHEMBL6132609 0.87 HRH3 (0.44) HRH3KMT2AMEN1KDM4EESR1
SCHEMBL6375985 0.83 HRH3 (0.59) HRH3ALDH1A1PDE4DPDE7AESR1
SCHEMBL6134229 0.83 HRH3 (0.44) HRH3ALDH1A1KMT2AMEN1KDM4E
SCHEMBL6933125 0.81 HDAC3 (0.44) HRH3ALDH1A1KMT2AMEN1KDM4E
SCHEMBL6135117 0.81 HRH3 (0.42) HRH3ALDH1A1KMT2AMEN1MAPT
SCHEMBL6132377 0.80 WNT3A (0.40) HRH3ALDH1A1KMT2AMEN1NPC1
SCHEMBL7339724 0.79 ALDH1A1 (0.52) HRH3ALDH1A1KMT2AMEN1KDM4E

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 HRH3 2597/4885ALDH1A1 4718/4885KMT2A 4695/4885

“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.