SCHEMBL22014536

SCHEMBL22014536

CCC1(C(=O)OCc2ccccc2)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.48
OPRD1 P41143 1/20 0.48
OPRK1 P41145 1/20 0.48
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
NPSR1 Q6W5P4 1/20 0.47
GPR119 Q8TDV5 2/20 0.45
STS P08842 1/20 0.45
ALDH1A1 P00352 1/20 0.44
YAP1 P46937 1/20 0.44
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL4326509 0.91 LMNA (0.51) TACR1OPRD1OPRK1MEN1KMT2A
SCHEMBL30289438 0.90 TACR1 (0.47) TACR1OPRD1OPRK1MEN1KMT2A
SCHEMBL28528706 0.89 P2RX7 (0.43) TACR1GPR119
SCHEMBL28974232 0.87 NAMPT (0.54) OPRD1OPRK1MEN1KMT2AGPR119
SCHEMBL13130080 0.87 TACR1 (0.50) TACR1OPRD1OPRK1MEN1KMT2A
SCHEMBL6144930 0.87 OPRD1 (0.47) TACR1OPRD1OPRK1MEN1KMT2A
SCHEMBL5767297 0.87 MEN1 (0.48) TACR1OPRD1OPRK1MEN1KMT2A
SCHEMBL3104656 0.86 MEN1 (0.50) TACR1OPRD1OPRK1MEN1KMT2A
SCHEMBL3498595 0.86 TACR1 (0.49) TACR1OPRD1OPRK1MEN1KMT2A
SCHEMBL1447994 0.85 TACR1 (0.55) TACR1OPRD1OPRK1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230036854-A1 HETEROCYCLIC SPIRO-COMPOUNDS AS AM2 RECEPTOR INHIBITORS THE UNIVERSITY OF SHEFFIELD (GB) 2023-02-02 US disclosed
US-20230036854-A1 HETEROCYCLIC SPIRO-COMPOUNDS AS AM2 RECEPTOR INHIBITORS THE UNIVERSITY OF SHEFFIELD (GB) 2023-02-02 US disclosed
CN-114007695-A As AM2Heterocyclic spiro-compounds as receptor inhibitors 谢菲尔德大学 2022-02-01 CN disclosed
WO-2020099885-A1 HETEROCYCLIC SPIRO-COMPOUNDS AS AM2 RECEPTOR INHIBITORS THE UNIVERSITY OF SHEFFIELD (GB) 2020-05-22 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 (1 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-20230036854-A1 HETEROCYCLIC SPIRO-COMPOUNDS AS AM2 RECEPTOR INHIBITORS MC2R, AGTR2, NR3C2 TACR1 13/4885OPRD1 251/4885OPRK1 276/4885

“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.