SCHEMBL10243674

SCHEMBL10243674

Cc1nc2cc(C(=O)N3[C@@H]4CC[C@H]3C[C@@H](c3ccc(F)cc3)C4)ccc2c(=O)[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 2/20 0.41
SIGMAR1 Q99720 2/20 0.41
HPGD P15428 2/20 0.39
SPR P35270 1/20 0.39
DRD2 P14416 3/20 0.38
DRD4 P21917 3/20 0.38
HTR1A P08908 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HRH1 P35367 1/20 0.38
PARP1 P09874 1/20 0.37
TYMS P04818 1/20 0.37
MGLL Q99685 4/20 0.37
NAMPT P43490 2/20 0.37
HRH3 Q9Y5N1 1/20 0.37
KDM1A O60341 1/20 0.37
POLB P06746 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
USP2 O75604 1/20 0.36

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
SCHEMBL17350943 1.00 SLC18A3 (0.41) SLC18A3SIGMAR1HPGDSPRDRD2
SCHEMBL10243810 0.85 HSP90AA1 (0.47) SLC18A3SIGMAR1HPGDNAMPTHRH3
SCHEMBL17350840 0.85 HSP90AA1 (0.47) SLC18A3SIGMAR1HPGDNAMPTHRH3
SCHEMBL17350881 0.78 POLB (0.46) SLC18A3SIGMAR1HPGDDRD2DRD4
SCHEMBL10243555 0.78 POLB (0.46) SLC18A3SIGMAR1HPGDDRD2DRD4
SCHEMBL17350946 0.77 SLC18A3 (0.43) SLC18A3SIGMAR1DRD2DRD4HTR1A
SCHEMBL10244152 0.77 SLC18A3 (0.43) SLC18A3SIGMAR1DRD2DRD4HTR1A
SCHEMBL10243665 0.77 HSD11B1 (0.42) SLC18A3SIGMAR1DRD2DRD4HTR1A
SCHEMBL17350637 0.77 HSD11B1 (0.42) SLC18A3SIGMAR1DRD2DRD4HTR1A
SCHEMBL10243746 0.77 SLC18A3 (0.47) SLC18A3SIGMAR1HPGDDRD2DRD4

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 SLC18A3 3630/4885SIGMAR1 277/4885HPGD 154/4885

“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.