SCHEMBL10244342

SCHEMBL10244342

NC(=O)c1cccc(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](c2ccc(F)cc2)C3)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 12/20 0.53
OPRD1 P41143 12/20 0.53
PARP14 Q460N5 2/20 0.51
PARP10 Q53GL7 2/20 0.51
PARP1 P09874 2/20 0.47
TNKS O95271 1/20 0.47
SLC18A3 Q16572 2/20 0.46
SIGMAR1 Q99720 2/20 0.46
KDM1A O60341 1/20 0.43
DRD2 P14416 2/20 0.43
DRD4 P21917 2/20 0.43
HTR1A P08908 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HRH1 P35367 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
SCHEMBL17350839 1.00 OPRM1 (0.53) OPRM1OPRD1PARP14PARP10PARP1
SCHEMBL10244021 0.89 HSD11B1 (0.50) PARP14PARP10SLC18A3SIGMAR1KDM1A
SCHEMBL17350581 0.89 HSD11B1 (0.50) PARP14PARP10SLC18A3SIGMAR1KDM1A
SCHEMBL10244083 0.88 SLC18A3 (0.46) OPRM1OPRD1PARP14PARP10SLC18A3
SCHEMBL17350616 0.88 SLC18A3 (0.46) OPRM1OPRD1PARP14PARP10SLC18A3
SCHEMBL10243437 0.87 PARP10 (0.56) OPRM1OPRD1PARP14PARP10SLC18A3
SCHEMBL17350989 0.87 PARP10 (0.56) OPRM1OPRD1PARP14PARP10SLC18A3
SCHEMBL10243820 0.86 MGLL (0.48) OPRM1OPRD1PARP14PARP10SLC18A3
SCHEMBL17350639 0.86 MGLL (0.48) OPRM1OPRD1PARP14PARP10SLC18A3
SCHEMBL10243928 0.85 HSD11B1 (0.53) SLC18A3SIGMAR1DRD2DRD4HTR1A

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
EP-2318403-B1 Aryl- and heteroarylcarbonyl derivatives of substituted nortropanes, medicaments containing such compounds and their use BOEHRINGER INGELHEIM INT (DE) 2015-12-23 EP disclosed
US-20120115853-A1 Aryl- and Heteroarylcarbonyl derivatives of substituted nortropanes, medicaments containing such compounds and their use BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-10 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-20120115853-A1 Aryl- and Heteroarylcarbonyl derivatives of substituted nortropanes, medicaments containing such compounds and their use HSD11B1, HSD11B2, HSD17B1 OPRM1 1008/4885OPRD1 337/4885PARP14 2074/4885

“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.