SCHEMBL10244500

SCHEMBL10244500

CC(=O)Nc1ccc(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](c2ccc(F)cc2)C3)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.55
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.46
POLB P06746 2/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
SLC18A3 Q16572 3/20 0.46
SIGMAR1 Q99720 2/20 0.46
TSHR P16473 1/20 0.44
PREP P48147 2/20 0.43
GRIN2B Q13224 1/20 0.43
PTPN1 P18031 1/20 0.43
DRD2 P14416 2/20 0.43
DRD4 P21917 2/20 0.43
EPHX2 P34913 1/20 0.43
HTR1A P08908 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HRH1 P35367 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
SCHEMBL17350745 1.00 HRH3 (0.55) HRH3NPC1MAPTRAB9APOLB
SCHEMBL10243883 0.87 POLB (0.57) HRH3NPC1RAB9APOLBKMT2A
SCHEMBL17350984 0.87 POLB (0.57) HRH3NPC1RAB9APOLBKMT2A
SCHEMBL17350691 0.86 MAPT (0.47) HRH3NPC1MAPTRAB9AKMT2A
SCHEMBL10243729 0.86 MAPT (0.47) HRH3NPC1MAPTRAB9AKMT2A
SCHEMBL17350934 0.86 POLB (0.51) HRH3NPC1RAB9APOLBKMT2A
SCHEMBL10243827 0.86 POLB (0.51) HRH3NPC1RAB9APOLBKMT2A
SCHEMBL10243880 0.84 POLB (0.51) HRH3NPC1MAPTRAB9APOLB
SCHEMBL17350598 0.84 POLB (0.51) HRH3NPC1MAPTRAB9APOLB
SCHEMBL17350829 0.83 ATM (0.51) HRH3NPC1MAPTRAB9APOLB

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 HRH3 1526/4885NPC1 136/4885MAPT 4658/4885

“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.