SCHEMBL6132314

SCHEMBL6132314

C[C@H]1CC[C@@H](N2CCN(c3ccc(-c4nnc(-c5ccc(C(=O)O)cc5)s4)cn3)CC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.45
NPC1 O15118 2/20 0.43
ALDH1A1 P00352 2/20 0.43
TSHR P16473 2/20 0.43
RAB9A P51151 2/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SMO Q99835 1/20 0.42
ADRA1A P35348 4/20 0.42
CSNK2A2 P19784 2/20 0.42
CSNK2A1 P68400 2/20 0.42
NR1H4 Q96RI1 1/20 0.40
PKM P14618 1/20 0.40
HPGD P15428 1/20 0.40
USP2 O75604 1/20 0.39
CSNK2B P67870 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL6132231 1.00 HRH3 (0.45) HRH3NPC1ALDH1A1TSHRRAB9A
SCHEMBL6132233 1.00 HRH3 (0.45) HRH3NPC1ALDH1A1TSHRRAB9A
SCHEMBL6132162 0.89 HRH3 (0.52) HRH3NPC1ALDH1A1TSHRRAB9A
SCHEMBL6132237 0.89 HRH3 (0.43) HRH3NPC1ALDH1A1TSHRRAB9A
SCHEMBL6132540 0.89 HRH3 (0.43) HRH3NPC1ALDH1A1TSHRRAB9A
SCHEMBL6132240 0.89 HRH3 (0.43) HRH3NPC1ALDH1A1TSHRRAB9A
SCHEMBL6135370 0.86 USP2 (0.55) HRH3NPC1RAB9ASMN1; SMN2CSNK2A2
SCHEMBL6135376 0.86 USP2 (0.55) HRH3NPC1RAB9ASMN1; SMN2CSNK2A2
SCHEMBL1743224 0.83 HRH3 (0.50) HRH3NPC1ALDH1A1RAB9A
SCHEMBL6132186 0.81 HDAC3 (0.44) HRH3NPC1ALDH1A1TSHRRAB9A

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 2414/4885ALDH1A1 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.