Sugi Predict

Sugi Predict / Compounds / SCHEMBL2236660

SCHEMBL2236660

SCHEMBL2236660

N[C@@H](CCNCc1ccccn1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 1/20 0.53
▸ MEN1 O00255 4/20 0.50
▸ KMT2A Q03164 4/20 0.50
▸ KDM4E B2RXH2 3/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ NPC1 O15118 2/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ TPH1 P17752 1/20 0.48
▸ SLC1A5 Q15758 1/20 0.48
▸ PTPRA P18433 1/20 0.48
▸ LMNA P02545 1/20 0.47
▸ SIRT2 Q8IXJ6 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.46
▸ TSHR P16473 2/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ PLK1 P53350 1/20 0.46
▸ CYP1A2 P05177 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
SCHEMBL2236666 1.00 CHRM2 (0.53) CHRM2MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL2238319 0.92 CHRM2 (0.57) CHRM2MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL2238312 0.92 CHRM2 (0.57) CHRM2MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL2236632 0.91 CHRM2 (0.60) CHRM2MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL2236636 0.91 CHRM2 (0.60) CHRM2MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL15208597 0.85 KDM4E (0.60) CHRM2MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL15208596 0.85 KDM4E (0.60) CHRM2MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL2236602 0.82 ARG1 (0.39) SLC1A5ALDH1A1CYP1A2
SCHEMBL2329796 0.82 ARG1 (0.39) SLC1A5ALDH1A1CYP1A2
SCHEMBL31369738 0.81 SMN1; SMN2 (0.63) MEN1KMT2AKDM4ESMN1; SMN2NPC1

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 37 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
CN-115093463-A Beta-hairpin peptidomimetics 波利弗尔股份公司 2022-09-23 — — CN 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
CN-105324390-B Beta-hairpin peptidomimetics 波利弗尔股份公司 2021-10-19 — — CN disclosed
US-20210284693-A1 BETA-HAIRPIN PEPTIDOMIMETICS SPEXIS AG (CH) 2021-09-16 — — US disclosed
CN-105849119-B Beta-hairpin peptidomimetics 波利弗尔股份公司 2021-01-19 — — CN disclosed
US-10829520-B2 Beta-hairpin peptidomimetics POLYPHOR AG (CH) 2020-11-10 — — US disclosed
CN-111770932-A Beta-hairpin peptidomimetics 波利弗尔股份公司 2020-10-13 — — CN 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
CN-102844327-A Template-fixed peptidomimetics with CXCR7 modulatory activity POLYPHOR AG 2012-12-26 — — CN 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 (8 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-20150307556-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY CXCR1, CXCL12, CXCR6 CHRM2 3826/4885MEN1 3558/4885KMT2A 4208/4885
US-20160060298-A1 BETA-HAIRPIN PEPTIDOMIMETICS POLL, C1S, BACE1 CHRM2 378/4885MEN1 750/4885KMT2A 2895/4885
US-11629171-B2 Beta-hairpin peptidomimetics POLL, POLQ, HBZ CHRM2 2550/4885MEN1 2209/4885KMT2A 2109/4885
US-20160052971-A1 BETA-HAIRPIN PEPTIDOMIMETICS C1S, POLL, BACE1 CHRM2 456/4885MEN1 913/4885KMT2A 3246/4885
US-20130225506-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY CXCR1, CXCL12, CXCR6 CHRM2 3972/4885MEN1 3757/4885KMT2A 4121/4885
US-20210284693-A1 BETA-HAIRPIN PEPTIDOMIMETICS POLL, POLQ, POLM CHRM2 2169/4885MEN1 2007/4885KMT2A 1715/4885
US-10829520-B2 Beta-hairpin peptidomimetics POLQ, POLL, POLM CHRM2 3374/4885MEN1 1218/4885KMT2A 1617/4885
US-11753446-B2 Beta-hairpin peptidomimetics POLL, BACE1, C1S CHRM2 307/4885MEN1 745/4885KMT2A 2961/4885

“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.