SCHEMBL4243958

SCHEMBL4243958

C=CCN1C(=O)C2CCC1([C@@H](c1ccccc1)N(C(=O)O)C(C)(C)C)CC2

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OXTR P30559 1/20 0.34
OPRD1 P41143 10/20 0.33
OPRM1 P35372 2/20 0.32
OPRK1 P41145 2/20 0.32
OPRL1 P41146 1/20 0.32
KDM4E B2RXH2 2/20 0.32
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2C9 P11712 2/20 0.32
HPGD P15428 2/20 0.32
CYP2C19 P33261 2/20 0.32
RIPK1 Q13546 1/20 0.31
TAF1 P21675 1/20 0.31
CECR2 Q9BXF3 1/20 0.31
FKBP1A P62942 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
SCHEMBL4241759 0.81 SLC6A9 (0.36) OPRD1KDM4ECYP1A2CYP3A4CYP2C9
SCHEMBL4238321 0.81 SLC6A9 (0.36) OPRD1KDM4ECYP1A2CYP3A4CYP2C9
SCHEMBL4243962 0.76 OPRD1 (0.34) OXTROPRD1OPRM1OPRK1OPRL1
SCHEMBL3711687 0.76 SLC6A9 (0.43) OXTR
SCHEMBL7899357 0.76 MAPT (0.43) OXTR
SCHEMBL2124777 0.75 SLC6A9 (0.49) CYP2C9
SCHEMBL4239283 0.74 SLC6A9 (0.50)
SCHEMBL4241807 0.74 SLC6A9 (0.50)
SCHEMBL4249594 0.74 SLC6A9 (0.50)
SCHEMBL7894548 0.73 OPRD1 (0.32) OXTROPRD1OPRM1OPRK1OPRL1

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-20090030033-A1 Novel Compounds 894 ASTRAZENECA AB (SE) 2009-01-29 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-20090030033-A1 Novel Compounds 894 AZI2, TPMT, AMPD2 OXTR 1183/4885OPRD1 3153/4885OPRM1 2971/4885

“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.