Sugi Predict

Sugi Predict / Compounds / SCHEMBL2236655

SCHEMBL2236655

SCHEMBL2236655

CN(CC[C@H](N)C(=O)O)c1ccccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 7/20 0.50
▸ PPARA Q07869 3/20 0.50
▸ SLC1A5 Q15758 4/20 0.49
▸ POLB P06746 1/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ CYP2D6 P10635 2/20 0.43
▸ CYP2C19 P33261 2/20 0.43
▸ MEN1 O00255 1/20 0.41
▸ GMNN O75496 1/20 0.41
▸ EGFR P00533 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ ADORA3 P0DMS8 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ ADRB3 P13945 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ ADRA2B P18089 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ TACR2 P21452 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
SCHEMBL2236628 0.91 PPARG (0.53) PPARGPPARASLC1A5POLBKMT2A
SCHEMBL15208594 0.85 PPARG (0.46) PPARGPPARASLC1A5POLBKMT2A
SCHEMBL2236592 0.83 SLC1A5 (0.45) SLC1A5KIF11
SCHEMBL15209210 0.83 SLC1A5 (0.45) SLC1A5KIF11
SCHEMBL31369757 0.79 KIF11 (0.47) PPARGSLC1A5POLBKMT2ATDP1
SCHEMBL7922668 0.78 PPARG (0.62) PPARGPPARAKMT2ACYP2D6CYP2C19
SCHEMBL19642981 0.77 PPARG (0.49) PPARGPPARAPOLBKMT2ACYP2D6
SCHEMBL5079200 0.77 POLQ (0.47) PPARGPPARASLC1A5POLBKMT2A
SCHEMBL4782822 0.76 CYP2D6 (0.47) PPARGPPARAPOLBKMT2ACYP2D6
SCHEMBL17087579 0.75 PPARG (0.41) PPARGPPARAPOLBKMT2ACYP2D6

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11753446-B2 Beta-hairpin peptidomimetics POLYPHOR AG (CH) 2023-09-12 — — US disclosed
US-11629171-B2 Beta-hairpin peptidomimetics SPEXIS AG (CH) 2023-04-18 — — US disclosed
EP-3201219-B1 BETA-HAIRPIN PEPTIDOMIMETICS POLYPHOR AG (CH) 2021-11-17 — — EP disclosed
EP-3201218-B1 BETA-HAIRPIN PEPTIDOMIMETICS POLYPHOR AG (CH) 2021-11-03 — — EP disclosed
US-20210284693-A1 BETA-HAIRPIN PEPTIDOMIMETICS SPEXIS AG (CH) 2021-09-16 — — US disclosed
US-10829520-B2 Beta-hairpin peptidomimetics POLYPHOR AG (CH) 2020-11-10 — — US disclosed
EP-3707153-A1 BETA-HAIRPIN PEPTIDOMIMETICS Polyphor Ag (CH) 2020-09-16 — — EP disclosed
US-20200231629-A1 BETA-HAIRPIN PEPTIDOMIMETICS POLYPHOR AG (CH) 2020-07-23 — — US disclosed
US-10654897-B2 β-hairpin peptidomimetics POLYPHOR AG (CH) 2020-05-19 — — US disclosed
US-10370412-B2 Beta-hairpin peptidomimetics POLYPHOR AG (CH) 2019-08-06 — — US disclosed
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
WO-2016050360-A1 BETA-HAIRPIN PEPTIDOMIMETICS POLYPHOR AG (CH) 2016-04-07 — — WO disclosed
US-20160060298-A1 BETA-HAIRPIN PEPTIDOMIMETICS POLYPHOR AG (CH) 2016-03-03 — — US disclosed
US-20160052971-A1 BETA-HAIRPIN PEPTIDOMIMETICS POLYPHOR AG (CH) 2016-02-25 — — US 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-20130225506-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY POLYPHOR AG (CH) 2013-08-29 — — US disclosed
EP-2531520-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY Polyphor AG (CH) 2012-12-12 — — EP disclosed
WO-2011095607-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY POLYPHOR AG (CH) 2011-08-11 — — 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 (11 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-20200231629-A1 BETA-HAIRPIN PEPTIDOMIMETICS BET1, BACH1, POLL PPARG 550/4885PPARA 477/4885SLC1A5 4204/4885
US-20150307556-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY CXCR1, CXCL12, CXCR6 PPARG 1155/4885PPARA 1847/4885SLC1A5 437/4885
US-10370412-B2 Beta-hairpin peptidomimetics POLL, BACE1, C1S PPARG 1164/4885PPARA 898/4885SLC1A5 4060/4885
US-20160060298-A1 BETA-HAIRPIN PEPTIDOMIMETICS POLL, C1S, BACE1 PPARG 1480/4885PPARA 1193/4885SLC1A5 4150/4885
US-10654897-B2 β-hairpin peptidomimetics BACE1, C1S, POLL PPARG 1259/4885PPARA 995/4885SLC1A5 3990/4885
US-11629171-B2 Beta-hairpin peptidomimetics POLL, POLQ, HBZ PPARG 841/4885PPARA 427/4885SLC1A5 3359/4885
US-20160052971-A1 BETA-HAIRPIN PEPTIDOMIMETICS C1S, POLL, BACE1 PPARG 1470/4885PPARA 1134/4885SLC1A5 4047/4885
US-20130225506-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY CXCR1, CXCL12, CXCR6 PPARG 1297/4885PPARA 2041/4885SLC1A5 391/4885
US-20210284693-A1 BETA-HAIRPIN PEPTIDOMIMETICS POLL, POLQ, POLM PPARG 786/4885PPARA 429/4885SLC1A5 3568/4885
US-10829520-B2 Beta-hairpin peptidomimetics POLQ, POLL, POLM PPARG 711/4885PPARA 350/4885SLC1A5 3032/4885
US-11753446-B2 Beta-hairpin peptidomimetics POLL, BACE1, C1S PPARG 1250/4885PPARA 1029/4885SLC1A5 4220/4885

“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.