SCHEMBL3324237

SCHEMBL3324237

C[C@@H]1CN(C)C[C@@H](C)N1C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
MAPT P10636 1/20 0.33
CHRM4 P08173 1/20 0.32
CHRM3 P20309 1/20 0.32
GAA P10253 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
RECQL P46063 1/20 0.30

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
SCHEMBL26110659 1.00 TSHR (0.33) TSHRMAPTCHRM4CHRM3GAA
SCHEMBL31665062 1.00 TSHR (0.33) TSHRMAPTCHRM4CHRM3GAA
SCHEMBL799017 0.80 SMN1; SMN2 (0.43) TSHRMAPTGAASMN1; SMN2RECQL
SCHEMBL18081175 0.80 SMN1; SMN2 (0.43) TSHRMAPTGAASMN1; SMN2RECQL
SCHEMBL27544882 0.80 TSHR (0.33) TSHRMAPTGAASMN1; SMN2RECQL
SCHEMBL25249044 0.80 TSHR (0.33) TSHRMAPTGAASMN1; SMN2RECQL
SCHEMBL26241593 0.80 SMN1; SMN2 (0.43) TSHRMAPTGAASMN1; SMN2RECQL
SCHEMBL357505 0.80 SMN1; SMN2 (0.43) TSHRMAPTGAASMN1; SMN2RECQL
SCHEMBL22576796 0.80 TSHR (0.33) TSHRMAPTGAASMN1; SMN2RECQL
SCHEMBL29412339 0.78 MAPT (0.32) TSHRMAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230219975-A1 PYRIDO[2,3-B][1,4]OXAZINES OR TETRAHYDROPYRIDO[2,3-B][1,4]OXAZEPINES AS IAP ANTAGONISTS BEONE MEDICINES I GMBH (CH) 2023-07-13 US disclosed
US-8603975-B2 Cyclic peptide compounds ASTELLAS PHARMA INC. (JP) 2013-12-10 US disclosed
EP-2150269-B1 NEW CYCLIC PEPTIDE COMPOUNDS ASTELLAS PHARMA INC (JP) 2012-11-21 EP disclosed
EP-2455098-A1 New cyclic peptide compounds Astellas Pharma Inc. (JP) 2012-05-23 EP disclosed
US-20100120672-A1 CYCLIC PEPTIDE COMPOUNDS ASTELLAS PHARMA INC. (JP) 2010-05-13 US 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 (2 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-20100120672-A1 CYCLIC PEPTIDE COMPOUNDS VIP, HAVCR2, ZC3HAV1 TSHR 2794/4885MAPT 4380/4885CHRM4 4823/4885
US-20230219975-A1 PYRIDO[2,3-B][1,4]OXAZINES OR TETRAHYDROPYRIDO[2,3-B][1,4]OXAZEPINES AS IAP ANTAGONISTS BIRC2, BIRC3, API5 TSHR 4555/4885MAPT 3168/4885CHRM4 2818/4885

“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.