SCHEMBL1768952

SCHEMBL1768952

N[C@@H](CC(=O)NCCc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AANAT Q16613 1/20 0.65
KMT2A Q03164 8/20 0.64
MEN1 O00255 7/20 0.64
TSHR P16473 3/20 0.62
MAPT P10636 3/20 0.62
LMNA P02545 2/20 0.62
BLM P54132 2/20 0.62
KDM4E B2RXH2 2/20 0.62
MPO P05164 1/20 0.62
PMP22 Q01453 1/20 0.62
HIF1A Q16665 1/20 0.62
NPC1 O15118 1/20 0.62
RAB9A P51151 1/20 0.62
CYP1A2 P05177 1/20 0.61
PKM P14618 1/20 0.61
CYP2C19 P33261 1/20 0.61
MTNR1A P48039 2/20 0.60
CTSC P53634 1/20 0.59
MMP9 P14780 1/20 0.58
FAAH O00519 1/20 0.58

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
SCHEMBL1768953 1.00 AANAT (0.65) AANATKMT2AMEN1TSHRMAPT
SCHEMBL1769390 0.88 MEN1 (0.68) AANATKMT2AMEN1TSHRMAPT
SCHEMBL2921499 0.88 MEN1 (0.68) AANATKMT2AMEN1TSHRMAPT
SCHEMBL1769393 0.88 MEN1 (0.68) AANATKMT2AMEN1TSHRMAPT
SCHEMBL2824958 0.86 AANAT (0.67) AANATKMT2AMEN1TSHRMAPT
SCHEMBL13560942 0.85 MEN1 (0.66) AANATKMT2AMEN1TSHRMAPT
SCHEMBL13584561 0.83 MAPT (0.62) AANATKMT2AMEN1TSHRMAPT
SCHEMBL13584565 0.83 MAPT (0.62) AANATKMT2AMEN1TSHRMAPT
SCHEMBL11768533 0.83 CTSC (0.69) AANATKMT2AMEN1TSHRMAPT
SCHEMBL6703004 0.82 AANAT (0.75) AANATKMT2AMEN1TSHRMAPT

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0552417-B1 Cyclic peptides and use thereof TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1999-07-07 EP claimed
EP-0528312-B1 Cyclic peptides and use thereof TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1997-07-16 EP claimed
EP-0714909-A1 Composition for prophylaxis or treatment of pulmonary circulatory diseases Takeda Chemical Industries, Ltd. (JP) 1996-06-05 EP claimed
US-9637520-B2 Template-fixed peptidomimetics with CXCR7 modulating activity POLYPHOR AG (CH) 2017-05-02 US disclosed
EP-2531520-B1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY POLYPHOR AG (CH) 2016-05-11 EP disclosed
US-20150307556-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY POLYPHOR AG (CH) 2015-10-29 US disclosed
US-9109009-B2 Template-fixed peptidomimetics with CXCR7 modulating activity POLYPHOR AG (CH) 2015-08-18 US disclosed
US-8754038-B2 Template-fixed peptidomimetics with CCR10 antagonistic activity POLYPHOR AG (CH) 2014-06-17 US disclosed
US-20130225506-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY POLYPHOR AG (CH) 2013-08-29 US disclosed
US-20120283168-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CCR10 ANTAGONISTIC ACTIVITY POLYPHOR AG (CH) 2012-11-08 US disclosed
EP-2501715-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CCR10 ANTAGONISTIC ACTIVTY Polyphor Ag (CH) 2012-09-26 EP disclosed
WO-2011060937-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CCR10 ANTAGONISTIC ACTIVTY POLYPHOR AG (CH) 2011-05-26 WO disclosed
EP-0714909-A1 Composition for prophylaxis or treatment of pulmonary circulatory diseases Takeda Chemical Industries, Ltd. (JP) 1996-06-05 EP disclosed
EP-0655463-A1 Cyclic hexapeptides having endothelin antagonistic activity TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-05-31 EP disclosed
EP-0647449-A1 Sustained-release preparation of anti-endothelin substance Takeda Chemical Industries, Ltd. (JP) 1995-04-12 EP disclosed
EP-0626174-A2 Methods and compositions for the prophylactic and/or therapeutic treatment of organ hypofunction TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-11-30 EP disclosed
EP-0552417-A1 Cyclic peptides and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-07-28 EP disclosed
EP-0528312-A2 Cyclic peptides and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-02-24 EP 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 (3 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-20120283168-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CCR10 ANTAGONISTIC ACTIVITY CCR10, CCR1, CCRL2 AANAT 4297/4885KMT2A 3431/4885MEN1 3852/4885
US-20150307556-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY CXCR1, CXCL12, CXCR6 AANAT 4252/4885KMT2A 4208/4885MEN1 3558/4885
US-20130225506-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY CXCR1, CXCL12, CXCR6 AANAT 4256/4885KMT2A 4121/4885MEN1 3757/4885

“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.