SCHEMBL27173003

SCHEMBL27173003

CCOC(=O)C(F)=C1CCNCC1.[H+]

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 10/20 0.35
OPRD1 P41143 10/20 0.35
ADORA1 P30542 2/20 0.35
OPRK1 P41145 4/20 0.34
ABCB11 O95342 1/20 0.33
KCNH2 Q12809 1/20 0.33
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
MAPT P10636 3/20 0.33
KDM4E B2RXH2 2/20 0.33
ALOX15 P16050 1/20 0.33
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL13949382 0.98 OPRM1 (0.36) OPRM1OPRD1ADORA1OPRK1ABCB11
Hydrochloric Acid SCHEMBL26124624 0.97 ADORA1 (0.37) OPRM1OPRD1ADORA1OPRK1ABCB11
SCHEMBL26870653 0.82 MAPT (0.36) MEN1KMT2AMAPTKDM4EALOX15
SCHEMBL30818832 0.80 MAPT (0.35) OPRM1MEN1KMT2AMAPTKDM4E
SCHEMBL24870690 0.80 ADORA1 (0.40) OPRM1OPRD1ADORA1OPRK1MEN1
SCHEMBL2864246 0.79 GLO1 (0.37) OPRM1OPRD1ADORA1OPRK1MEN1
Hydrochloric Acid SCHEMBL3547234 0.77 ADORA1 (0.38) OPRM1OPRD1ADORA1OPRK1MEN1
SCHEMBL3881844 0.77 TSHR (0.41) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL14539579 0.77 ALOX15 (0.39) OPRM1OPRD1ADORA1OPRK1MEN1
SCHEMBL13814955 0.73 ALDH1A1 (0.36) OPRM1OPRD1ADORA1OPRK1MEN1

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-20240336596-A1 PARP7 INHIBITOR AND USE THEREOF NOVOSTAR PHARMACEUTICALS, LTD. (CN) 2024-10-10 US disclosed
EP-4338737-A1 PARP7 INHIBITOR AND USE THEREOF Novostar Pharmaceuticals, Ltd. (CN) 2024-03-20 EP 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-20240336596-A1 PARP7 INHIBITOR AND USE THEREOF PARP1, PARP3, PARP11 OPRM1 3404/4885OPRD1 2802/4885ADORA1 1450/4885

“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.