SCHEMBL6132223

SCHEMBL6132223

COC(=O)c1ccc(N2CCN(C3CCC(C)CC3)CC2)nc1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.64
NPC1 O15118 2/20 0.61
RAB9A P51151 2/20 0.61
KMT2A Q03164 1/20 0.61
CRBN Q96SW2 4/20 0.54
DDB1 Q16531 2/20 0.49
OGA O60502 1/20 0.49
ADRA1A P35348 4/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
TSHR P16473 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL6132220 1.00 HRH3 (0.64) HRH3NPC1RAB9AKMT2ACRBN
SCHEMBL6132267 1.00 HRH3 (0.64) HRH3NPC1RAB9AKMT2ACRBN
SCHEMBL9204223 0.90 HRH3 (0.73) HRH3NPC1RAB9AKMT2ACRBN
SCHEMBL9210226 0.89 HRH3 (0.72) HRH3NPC1RAB9AKMT2ACRBN
SCHEMBL6132498 0.87 HRH3 (0.61) HRH3NPC1RAB9AKMT2ACRBN
SCHEMBL6132503 0.87 HRH3 (0.61) HRH3NPC1RAB9AKMT2ACRBN
SCHEMBL6132837 0.87 HRH3 (0.61) HRH3NPC1RAB9AKMT2ACRBN
SCHEMBL6132162 0.87 HRH3 (0.52) HRH3NPC1RAB9AKMT2ACRBN
SCHEMBL6132274 0.85 RAB9A (0.53) HRH3NPC1RAB9AADRA1AALDH1A1
SCHEMBL6132270 0.85 RAB9A (0.53) HRH3NPC1RAB9AADRA1AALDH1A1

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 2597/4885NPC1 2414/4885RAB9A 3506/4885

“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.