SCHEMBL10243852

SCHEMBL10243852

O=C(c1cccnc1)N1[C@@H]2CC[C@H]1C[C@@H](c1ccc(F)cc1)C2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
L3MBTL1 Q9Y468 3/20 0.46
SLC18A3 Q16572 3/20 0.46
SIGMAR1 Q99720 2/20 0.46
LMNA P02545 1/20 0.46
VNN1 O95497 1/20 0.45
ATM Q13315 1/20 0.44
CCR5 P51681 1/20 0.43
TRPV6 Q9H1D0 1/20 0.43
SLC6A3 Q01959 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
RAB9A P51151 1/20 0.43
POLB P06746 1/20 0.43
HTT P42858 1/20 0.42

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
SCHEMBL17350782 1.00 KMT2A (0.47) KMT2ASMN1; SMN2L3MBTL1SLC18A3SIGMAR1
SCHEMBL17350890 0.85 KDM4E (0.50) KMT2ASMN1; SMN2SLC18A3SIGMAR1ATM
SCHEMBL10243475 0.85 KDM4E (0.50) KMT2ASMN1; SMN2SLC18A3SIGMAR1ATM
SCHEMBL10243756 0.84 SLC18A3 (0.59) KMT2ASLC18A3SIGMAR1ATMDRD2
SCHEMBL17350944 0.84 SLC18A3 (0.59) KMT2ASLC18A3SIGMAR1ATMDRD2
SCHEMBL17350832 0.84 SLC18A3 (0.43) KMT2ASLC18A3SIGMAR1ATMDRD2
SCHEMBL10243484 0.84 SLC18A3 (0.43) KMT2ASLC18A3SIGMAR1ATMDRD2
SCHEMBL10243883 0.83 POLB (0.57) KMT2AL3MBTL1SLC18A3SIGMAR1ATM
SCHEMBL17350984 0.83 POLB (0.57) KMT2AL3MBTL1SLC18A3SIGMAR1ATM
SCHEMBL17350581 0.81 HSD11B1 (0.50) KMT2ASMN1; SMN2SLC18A3SIGMAR1DRD2

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 KMT2A 2551/4885SMN1; SMN2 3849/4885L3MBTL1 3275/4885

“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.