SCHEMBL1768474

SCHEMBL1768474

N[C@@H](CCNC(=O)NCCN1CCOCC1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.52
LMNA P02545 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
CNR1 P21554 1/20 0.49
TDP1 Q9NUW8 1/20 0.48
GAA P10253 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
CD274 Q9NZQ7 3/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
KDM4E B2RXH2 1/20 0.46
EPHX2 P34913 1/20 0.45
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HTR1A P08908 1/20 0.45
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45

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
SCHEMBL1768478 1.00 TSHR (0.52) TSHRLMNASMN1; SMN2CNR1TDP1
SCHEMBL1768797 0.91 GAA (0.58) TSHRLMNASMN1; SMN2GAAMAPT
SCHEMBL1768801 0.91 GAA (0.58) TSHRLMNASMN1; SMN2GAAMAPT
SCHEMBL13584652 0.90 LMNA (0.48) TSHRLMNASMN1; SMN2CNR1TDP1
SCHEMBL13584657 0.90 LMNA (0.48) TSHRLMNASMN1; SMN2CNR1TDP1
SCHEMBL13585514 0.88 MEN1 (0.49) CNR1CA12CA1CA2CA9
SCHEMBL1768689 0.88 MEN1 (0.49) CNR1CA12CA1CA2CA9
SCHEMBL3897267 0.85 SMN1; SMN2 (0.60) TSHRLMNASMN1; SMN2CNR1TDP1
SCHEMBL1768900 0.84 HSD17B10 (0.54) TSHRSMN1; SMN2TDP1KMT2AALDH1A1
SCHEMBL1768903 0.84 HSD17B10 (0.54) TSHRSMN1; SMN2TDP1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8754038-B2 Template-fixed peptidomimetics with CCR10 antagonistic activity POLYPHOR AG (CH) 2014-06-17 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

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-20120283168-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CCR10 ANTAGONISTIC ACTIVITY CCR10, CCR1, CCRL2 TSHR 963/4885LMNA 2407/4885SMN1; SMN2 1981/4885

“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.