SCHEMBL6132540

SCHEMBL6132540

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

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.43
SMO Q99835 1/20 0.42
NR1H4 Q96RI1 1/20 0.41
CSNK2A2 P19784 3/20 0.40
CSNK2A1 P68400 3/20 0.40
WNT3A P56704 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CXCR3 P49682 1/20 0.37
CSNK2B P67870 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
SCHEMBL6132240 1.00 HRH3 (0.43) HRH3SMONR1H4CSNK2A2CSNK2A1
SCHEMBL6132237 1.00 HRH3 (0.43) HRH3SMONR1H4CSNK2A2CSNK2A1
SCHEMBL6132762 0.90 HRH3 (0.49) HRH3SMOWNT3AKMT2ANPC1
SCHEMBL6132233 0.89 HRH3 (0.45) HRH3SMONR1H4CSNK2A2CSNK2A1
SCHEMBL6132231 0.89 HRH3 (0.45) HRH3SMONR1H4CSNK2A2CSNK2A1
SCHEMBL6132314 0.89 HRH3 (0.45) HRH3SMONR1H4CSNK2A2CSNK2A1
SCHEMBL6132285 0.82 HDAC3 (0.42) HRH3WNT3AKMT2ANPC1RAB9A
SCHEMBL6132251 0.82 HDAC3 (0.42) HRH3WNT3AKMT2ANPC1RAB9A
SCHEMBL1743224 0.80 HRH3 (0.50) HRH3KMT2ANPC1ALDH1A1RAB9A
SCHEMBL6132162 0.79 HRH3 (0.52) HRH3SMOKMT2ANPC1ALDH1A1

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 2597/4885SMO 4664/4885NR1H4 3884/4885

“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.