SCHEMBL10243883

SCHEMBL10243883

O=C(c1ccc(F)cc1)N1[C@@H]2CC[C@H]1C[C@@H](c1ccc(F)cc1)C2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.57
SLC18A3 Q16572 2/20 0.56
SIGMAR1 Q99720 2/20 0.56
DRD2 P14416 3/20 0.51
DRD4 P21917 3/20 0.51
HTR1A P08908 1/20 0.51
HTR2A P28223 1/20 0.51
HTR2C P28335 1/20 0.51
HRH1 P35367 1/20 0.51
KDM4E B2RXH2 2/20 0.49
MEN1 O00255 2/20 0.49
ALDH1A1 P00352 2/20 0.49
KMT2A Q03164 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
ATM Q13315 1/20 0.49
HRH3 Q9Y5N1 1/20 0.48
PARP10 Q53GL7 1/20 0.46
KDM1A O60341 1/20 0.46
PAX8 Q06710 1/20 0.45

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
SCHEMBL17350984 1.00 POLB (0.57) POLBSLC18A3SIGMAR1DRD2DRD4
SCHEMBL17351017 0.94 POLB (0.52) POLBSLC18A3SIGMAR1DRD2DRD4
SCHEMBL10244560 0.94 POLB (0.52) POLBSLC18A3SIGMAR1DRD2DRD4
SCHEMBL17350934 0.93 POLB (0.51) POLBSLC18A3SIGMAR1DRD2DRD4
SCHEMBL17351021 0.93 POLB (0.51) POLBSLC18A3SIGMAR1DRD2DRD4
SCHEMBL10243880 0.93 POLB (0.51) POLBSLC18A3SIGMAR1DRD2DRD4
SCHEMBL10244051 0.93 DRD2 (0.61) POLBSLC18A3SIGMAR1DRD2DRD4
SCHEMBL17350989 0.93 PARP10 (0.56) POLBSLC18A3SIGMAR1DRD2DRD4
SCHEMBL10244006 0.93 POLB (0.51) POLBSLC18A3SIGMAR1DRD2DRD4
SCHEMBL10243827 0.93 POLB (0.51) POLBSLC18A3SIGMAR1DRD2DRD4

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 POLB 2353/4885SLC18A3 3630/4885SIGMAR1 277/4885

“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.