SCHEMBL6132351

SCHEMBL6132351

N#Cc1ccc(C2CCN(C3CCCCC3)CC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 2/20 0.63
HRH3 Q9Y5N1 5/20 0.62
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
KCNH2 Q12809 1/20 0.47
GRIN2B Q13224 1/20 0.44
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
OGFRL1 Q5TC84 1/20 0.42
MGLL Q99685 1/20 0.42
ESRRB O95718 1/20 0.42
ESR1 P03372 1/20 0.42
ESRRA P11474 1/20 0.42
ESRRG P62508 1/20 0.42
USP30 Q70CQ3 2/20 0.41
HSD11B1 P28845 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
SCHEMBL12897676 0.84 HRH3 (0.47) SLC18A3HRH3KCNH2GRIN2B
SCHEMBL250728 0.82 MAOA (0.53) HRH3KCNH2MAOAMAOBUSP30
SCHEMBL22680616 0.82 MAOA (0.53) HRH3KCNH2MAOAMAOBUSP30
SCHEMBL7315490 0.82 L3MBTL3 (0.50) SLC18A3HRH3
SCHEMBL250894 0.80 MAOA (0.50) HRH3KCNH2MAOAMAOBUSP30
SCHEMBL27404013 0.80 SLC18A3 (0.58) SLC18A3HRH3CYP2D6CYP2C19KCNH2
SCHEMBL10992847 0.79 MEN1 (0.44) SLC18A3HRH3KCNH2OPRM1OPRK1
SCHEMBL10992849 0.79 MEN1 (0.44) SLC18A3HRH3KCNH2OPRM1OPRK1
SCHEMBL3766052 0.79 HRH3 (0.55) HRH3KCNH2MGLLUSP30
SCHEMBL22816414 0.78 SLC18A3 (0.69) SLC18A3CYP2D6CYP2C19GRIN2BESRRB

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 6 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
CN-1425026-A Cyclic hexapeptide derivatives FUJISAWA PHARMACEUTICAL CO (JP) 2003-06-18 CN 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 SLC18A3 4707/4885HRH3 2597/4885CYP2D6 3352/4885

“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.