SCHEMBL10243970

SCHEMBL10243970

Nc1ccc(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](c2ccc(F)cc2)C3)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.47
DRD4 P21917 3/20 0.47
LRRK2 Q5S007 1/20 0.46
SLC18A3 Q16572 2/20 0.45
SIGMAR1 Q99720 2/20 0.45
KDM1A O60341 2/20 0.44
POLB P06746 1/20 0.43
HSD11B1 P28845 4/20 0.42
HTR1A P08908 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HRH1 P35367 1/20 0.42
HRH3 Q9Y5N1 1/20 0.40
PARP10 Q53GL7 2/20 0.38
PARP14 Q460N5 1/20 0.38
TRPC6 Q9Y210 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL17350876 1.00 DRD2 (0.47) DRD2DRD4LRRK2SLC18A3SIGMAR1
SCHEMBL17350812 0.88 SLC18A3 (0.46) DRD2DRD4SLC18A3SIGMAR1KDM1A
SCHEMBL10243979 0.88 SLC18A3 (0.46) DRD2DRD4SLC18A3SIGMAR1KDM1A
SCHEMBL10244177 0.88 HSD11B1 (0.56) DRD2DRD4SLC18A3SIGMAR1KDM1A
SCHEMBL17350742 0.88 HSD11B1 (0.56) DRD2DRD4SLC18A3SIGMAR1KDM1A
SCHEMBL10243960 0.87 DRD2 (0.47) DRD2DRD4SLC18A3SIGMAR1KDM1A
SCHEMBL17350789 0.87 DRD2 (0.47) DRD2DRD4SLC18A3SIGMAR1KDM1A
SCHEMBL17350945 0.84 DRD2 (0.47) DRD2DRD4SLC18A3SIGMAR1KDM1A
SCHEMBL10243975 0.84 DRD2 (0.47) DRD2DRD4SLC18A3SIGMAR1KDM1A
SCHEMBL17350984 0.84 POLB (0.57) DRD2DRD4SLC18A3SIGMAR1KDM1A

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 DRD2 772/4885DRD4 986/4885LRRK2 1687/4885

“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.