SCHEMBL22014538

SCHEMBL22014538

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

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.52
SLC22A1 O15245 1/20 0.52
SLC6A4 P31645 1/20 0.52
ADRA1A P35348 1/20 0.52
OPRD1 P41143 1/20 0.52
OPRK1 P41145 1/20 0.52
KCNH2 Q12809 1/20 0.52
LMNA P02545 2/20 0.49
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
POLB P06746 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL11368685 0.88 ALDH1A1 (0.53) KMT2AALDH1A1
SCHEMBL27527945 0.88 LMNA (0.46) LMNAMEN1NPC1POLBRAB9A
SCHEMBL3560767 0.85 ALDH1A1 (0.48) LMNAMEN1KMT2AALDH1A1
SCHEMBL21963898 0.83 DDB1 (0.43) LMNAMEN1KMT2A
SCHEMBL16488071 0.83 OPRM1 (0.51) OPRM1SLC22A1SLC6A4ADRA1AOPRD1
SCHEMBL24568094 0.82 OPRM1 (0.50) OPRM1SLC22A1SLC6A4ADRA1AOPRD1
SCHEMBL22014537 0.82 OPRM1 (0.51) OPRM1ALDH1A1
SCHEMBL25557239 0.82 OPRM1 (0.50) OPRM1SLC22A1SLC6A4ADRA1AOPRD1
SCHEMBL22014536 0.81 TACR1 (0.48) OPRD1OPRK1MEN1KMT2AALDH1A1
SCHEMBL16864106 0.81 LMNA (0.72) OPRM1SLC22A1SLC6A4ADRA1AOPRD1

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-20230036854-A1 HETEROCYCLIC SPIRO-COMPOUNDS AS AM2 RECEPTOR INHIBITORS THE UNIVERSITY OF SHEFFIELD (GB) 2023-02-02 US 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 OPRM1 144/4885SLC22A1 1527/4885SLC6A4 3252/4885

“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.