SCHEMBL20799622

SCHEMBL20799622

CC(C)(C)OC(=O)NC[C@H]1C[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
DRD2 P14416 2/20 0.48
NAMPT P43490 2/20 0.48
NPFFR1 Q9GZQ6 1/20 0.48
NPFFR2 Q9Y5X5 1/20 0.48
ACACB O00763 5/20 0.46
ACACA Q13085 3/20 0.46
CKS1B P61024 1/20 0.45
SKP1 P63208 1/20 0.45
SKP2 Q13309 1/20 0.45
SIGMAR1 Q99720 2/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA7 P43166 1/20 0.43
CA14 Q9ULX7 1/20 0.43
KDM4E B2RXH2 1/20 0.42
PKM P14618 1/20 0.42
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42

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
SCHEMBL25080814 0.90 NAMPT (0.53) KMT2AL3MBTL1DRD2NAMPTNPFFR1
SCHEMBL4640529 0.88 NPFFR1 (0.51) KMT2AL3MBTL1DRD2NAMPTNPFFR1
SCHEMBL4642395 0.88 NPFFR1 (0.51) KMT2AL3MBTL1DRD2NAMPTNPFFR1
SCHEMBL4642388 0.88 NPFFR1 (0.51) KMT2AL3MBTL1DRD2NAMPTNPFFR1
SCHEMBL14432029 0.84 DRD2 (0.56) DRD2ACACBACACACKS1BSKP1
SCHEMBL5450728 0.84 DRD2 (0.56) DRD2ACACBACACACKS1BSKP1
SCHEMBL3289146 0.84 DRD2 (0.56) DRD2ACACBACACACKS1BSKP1
SCHEMBL8222010 0.83 NPFFR1 (0.49) KMT2AL3MBTL1DRD2NAMPTNPFFR1
SCHEMBL3052457 0.83 HDAC3 (0.59) DRD2CKS1BSKP1SKP2
SCHEMBL31165348 0.83 NPFFR1 (0.49) KMT2AL3MBTL1DRD2NAMPTNPFFR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10435389-B2 Octahydrocyclopenta[c]pyrrole allosteric inhibitors of SHP2 Krouzon Pharmaccuticals, Inc. (US) 2019-10-08 US disclosed
US-20190077792-A1 Octahydrocyclopenta[c]pyrrole Allosteric Inhibitors of SHP2 Krouzon Pharmaceuticals, Inc. 2019-03-14 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-20190077792-A1 Octahydrocyclopenta[c]pyrrole Allosteric Inhibitors of SHP2 PTPN1, PTPN2, PTPN7 KMT2A 1077/4885L3MBTL1 3959/4885DRD2 4732/4885
US-10435389-B2 Octahydrocyclopenta[c]pyrrole allosteric inhibitors of SHP2 PTPN1, PTPN2, PTPN7 KMT2A 1077/4885L3MBTL1 3959/4885DRD2 4732/4885

“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.