SCHEMBL19098326

SCHEMBL19098326

CC(S)N1CCC(N2CCC(O)CC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 2/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
L3MBTL3 Q96JM7 2/20 0.32
MBTD1 Q05BQ5 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TACR1 P25103 1/20 0.31
KCNH2 Q12809 1/20 0.31
OPRM1 P35372 1/20 0.30
LMNA P02545 1/20 0.30
CYP2C9 P11712 1/20 0.30
HRH3 Q9Y5N1 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
SCHEMBL18950401 0.88 GPR119 (0.36) LMNACYP2C9HRH3
SCHEMBL12026451 0.84 HRH3 (0.40) OPRL1OPRD1OPRK1L3MBTL3MBTD1
SCHEMBL20655373 0.82 L3MBTL3 (0.46) L3MBTL3MBTD1L3MBTL1
SCHEMBL24755111 0.78 HRH3 (0.36) L3MBTL3MBTD1L3MBTL1TACR1KCNH2
SCHEMBL26023136 0.78 HRH3 (0.35) OPRL1OPRD1OPRK1OPRM1HRH3
SCHEMBL14526648 0.77 HRH3 (0.35) OPRL1OPRD1OPRK1OPRM1HRH3
SCHEMBL21017349 0.77 SMN1; SMN2 (0.38) OPRL1L3MBTL3MBTD1L3MBTL1LMNA
SCHEMBL25147438 0.75
SCHEMBL21310383 0.75
SCHEMBL23153455 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170190713-A1 FUSED QUADRACYCLIC COMPOUNDS, COMPOSITIONS AND USES THEREOF WUXI APPTEC (HONG KONG) CO., LIMITED (HK) 2017-07-06 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 (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-20170190713-A1 FUSED QUADRACYCLIC COMPOUNDS, COMPOSITIONS AND USES THEREOF MKNK2, CYP2J2, PTGS2 OPRL1 3309/4885OPRD1 3037/4885OPRK1 1377/4885

“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.