SCHEMBL22014537

SCHEMBL22014537

CCC1(C(=O)OCc2ccccc2)CCNCC1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.51
DDB1 Q16531 1/20 0.49
CRBN Q96SW2 1/20 0.49
ALDH1A1 P00352 1/20 0.46
HTR2C P28335 1/20 0.44
TACR1 P25103 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
SCHEMBL11368685 0.90 ALDH1A1 (0.53) DDB1CRBNALDH1A1
SCHEMBL27527936 0.86 DDB1 (0.49) OPRM1DDB1CRBNALDH1A1TACR1
SCHEMBL5213485 0.82 DDB1 (0.51) OPRM1DDB1CRBNALDH1A1HTR2C
SCHEMBL16104359 0.82 DDB1 (0.54) OPRM1DDB1CRBNALDH1A1TACR1
SCHEMBL22014538 0.82 OPRM1 (0.52) OPRM1ALDH1A1
SCHEMBL6522997 0.81 OPRM1 (0.56) OPRM1HTR2CTACR1
SCHEMBL13311996 0.81 DDB1 (0.56) OPRM1DDB1CRBNALDH1A1TACR1
SCHEMBL26130614 0.81 DDB1 (0.52) OPRM1DDB1CRBNALDH1A1HTR2C
SCHEMBL16875463 0.81 SMN1; SMN2 (0.52) DDB1CRBNALDH1A1
SCHEMBL16886413 0.81 SMN1; SMN2 (0.52) DDB1CRBNALDH1A1

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 144/4885DDB1 4005/4885CRBN 1829/4885

“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.