SCHEMBL10243475

SCHEMBL10243475

O=C(c1ccncc1)N1[C@@H]2CC[C@H]1C[C@@H](c1ccc(F)cc1)C2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.50
POLB P06746 2/20 0.50
GAA P10253 1/20 0.50
SLC18A3 Q16572 2/20 0.47
SIGMAR1 Q99720 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
RECQL P46063 1/20 0.45
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
NAMPT P43490 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
ATM Q13315 1/20 0.44
DRD2 P14416 3/20 0.44
DRD4 P21917 3/20 0.44
LTA4H P09960 1/20 0.44
HTR1A P08908 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44

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
SCHEMBL17350890 1.00 KDM4E (0.50) KDM4EPOLBGAASLC18A3SIGMAR1
SCHEMBL10243883 0.90 POLB (0.57) KDM4EPOLBSLC18A3SIGMAR1KMT2A
SCHEMBL17350984 0.90 POLB (0.57) KDM4EPOLBSLC18A3SIGMAR1KMT2A
SCHEMBL10243756 0.86 SLC18A3 (0.59) KDM4EPOLBSLC18A3SIGMAR1KMT2A
SCHEMBL17350944 0.86 SLC18A3 (0.59) KDM4EPOLBSLC18A3SIGMAR1KMT2A
SCHEMBL17351017 0.85 POLB (0.52) KDM4EPOLBSLC18A3SIGMAR1KMT2A
SCHEMBL10244560 0.85 POLB (0.52) KDM4EPOLBSLC18A3SIGMAR1KMT2A
SCHEMBL10243852 0.85 KMT2A (0.47) POLBGAASLC18A3SIGMAR1SMN1; SMN2
SCHEMBL17350782 0.85 KMT2A (0.47) POLBGAASLC18A3SIGMAR1SMN1; SMN2
SCHEMBL17350989 0.84 PARP10 (0.56) KDM4EPOLBSLC18A3SIGMAR1KMT2A

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 KDM4E 3260/4885POLB 2353/4885GAA 296/4885

“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.