SCHEMBL21058505

SCHEMBL21058505

CC1(CCO)CCN(C(=O)O)CC1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
CYP3A4 P08684 2/20 0.31
CYP2D6 P10635 2/20 0.31
USP2 O75604 1/20 0.31
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
VNN1 O95497 1/20 0.30
FFAR3 O14843 1/20 0.30
HIF1A Q16665 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
SCHEMBL1290779 0.83 VNN1 (0.38) CYP2D6VNN1FFAR3
SCHEMBL346031 0.82 CHRM2 (0.43) CHRM2CHRM1CHRM3
SCHEMBL2202122 0.79 NPC1 (0.33)
SCHEMBL4980253 0.79 USP2 (0.38) USP2CYP4F2CYP4A11
SCHEMBL16113435 0.78
SCHEMBL18044505 0.78 KMT2A (0.35) USP2FFAR3
SCHEMBL1317472 0.78 PTPN11 (0.33) CHRM2CHRM1CHRM3USP2FFAR3
SCHEMBL20484883 0.78 VNN1 (0.35) CYP3A4CYP2D6USP2VNN1FFAR3
SCHEMBL238639 0.78 PKLR (0.34)
SCHEMBL1993718 0.76 PTPN11 (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10710975-B2 Oxopiperazine derivatives Inthera Bioscience AG (CH) 2020-07-14 US disclosed
US-20190185449-A1 OXOPIPERAZINE DERIVATIVES Inthera Bioscience AG (CH) 2019-06-20 US disclosed
CN-101006057-A Novel piperidine/8-azabicyclo [3.2.1] octan derivatives as moduilators of chemokine receptor CCR5 ASTRAZENECA AB (SE) 2007-07-25 CN 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-10710975-B2 Oxopiperazine derivatives CYP3A5, AQP1, AVPR2 CHRM2 1155/4885CHRM1 778/4885CHRM3 743/4885
US-20190185449-A1 OXOPIPERAZINE DERIVATIVES CYP3A5, AQP1, AVPR2 CHRM2 1155/4885CHRM1 778/4885CHRM3 743/4885

“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.