SCHEMBL288736

SCHEMBL288736

O=C(O)C[C@@H]1CCCCN1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 2/20 0.52
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
LMNA P02545 2/20 0.49
TP53 P04637 2/20 0.49
MITF O75030 1/20 0.49
CYP3A4 P08684 1/20 0.49
MAPT P10636 1/20 0.49
ALOX15 P16050 1/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
NLRP1 Q9C000 1/20 0.49
GPR55 Q9Y2T6 1/20 0.49
CYP2D6 P10635 2/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.47
TSHR P16473 1/20 0.47
MLNR O43193 1/20 0.47
ABCB11 O95342 1/20 0.47

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
SCHEMBL644279 1.00 FDPS (0.52) FDPSKMT2AMEN1LMNATP53
SCHEMBL5782951 1.00 FDPS (0.52) FDPSKMT2AMEN1LMNATP53
SCHEMBL5499053 0.98 KMT2A (0.51) FDPSKMT2AMEN1LMNATP53
Hydrochloric Acid SCHEMBL16909535 0.98 FDPS (0.50) FDPSKMT2AMEN1LMNATP53
Hydrochloric Acid SCHEMBL645809 0.98 FDPS (0.50) FDPSKMT2AMEN1LMNATP53
Hydrochloric Acid SCHEMBL16909729 0.98 FDPS (0.50) FDPSKMT2AMEN1LMNATP53
Oxalic Acid SCHEMBL28807941 0.96 FDPS (0.49) FDPSKMT2AMEN1LMNATP53
SCHEMBL288786 0.93
SCHEMBL1476244 0.93
SCHEMBL288677 0.93

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10017481-B2 Conformationally constrained, fully synthetic macrocyclic compounds POLYPHOR AG (CH) 2018-07-10 US claimed
EP-2836485-B1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2018-01-10 EP claimed
US-9695191-B2 Conformationally constrained, fully synthetic macrocyclic compounds POLYPHOR AG (CH) 2017-07-04 US claimed
EP-2499148-B1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2017-01-18 EP claimed
US-9512139-B2 Conformationally constrained, fully synthetic macrocyclic compounds POLYPHOR AG (CH) 2016-12-06 US claimed
US-20150051183-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2015-02-19 US claimed
EP-2836485-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS Polyphor Ag (CH) 2015-02-18 EP claimed
EP-2462147-B1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2014-11-12 EP claimed
WO-2013139697-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2013-09-26 WO claimed
US-20120270881-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2012-10-25 US claimed
EP-2499148-A2 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS Polyphor Ag (CH) 2012-09-19 EP claimed
US-20120202821-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2012-08-09 US claimed
WO-2011014973-A2 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2011-02-10 WO claimed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
EP-3087094-B1 BETA-HAIRPIN PEPTIDOMIMETICS AS SELECTIVE ELASTASE INHIBITORS POLYPHOR AG (CH) 2022-06-01 EP disclosed
US-10273267-B2 Beta-hairpin peptidomimetics as selective elastase inhibitors POLYPHOR AG (CH) 2019-04-30 US disclosed
EP-2427476-A1 BETA-HAIRPIN PEPTIDOMIMETICS HAVING CXCR4 ANTAGONIZING ACTIVITY Polyphor Ag (CH) 2012-03-14 EP disclosed
EP-0305180-B1 Enantioselective reduction of ketones HARVARD COLLEGE (US) 1995-03-22 EP disclosed
US-4943635-A OXAZABOROLIDINES AND OXAZABORINES AS CATALYSTS PRESIDENT & FELLOWS OF HARVARD COLLEGE (US) 1990-07-24 US disclosed
EP-0305180-A2 Enantioselective reduction of ketones THE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 1989-03-01 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 (5 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-20120202821-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS HTR2B, MC1R, HTR1A FDPS 924/4885KMT2A 4240/4885MEN1 332/4885
US-10273267-B2 Beta-hairpin peptidomimetics as selective elastase inhibitors SERPINB1, ELANE, XPNPEP1 FDPS 3021/4885KMT2A 3523/4885MEN1 2797/4885
US-10017481-B2 Conformationally constrained, fully synthetic macrocyclic compounds CTSE, CTSB, CTSS FDPS 4115/4885KMT2A 4608/4885MEN1 1674/4885
US-20120270881-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS KCNB1, KCNAB1, KCNMB1 FDPS 1576/4885KMT2A 3178/4885MEN1 559/4885
US-20150051183-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS CTSE, CTSB, CTSS FDPS 4115/4885KMT2A 4608/4885MEN1 1674/4885

“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.