SCHEMBL10243810

SCHEMBL10243810

Cc1nc2ccc(C(=O)N3[C@@H]4CC[C@H]3C[C@@H](c3ccc(F)cc3)C4)cc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.47
ESR2 Q92731 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
FGFR1 P11362 1/20 0.44
FGFR2 P21802 1/20 0.44
FGFR3 P22607 1/20 0.44
POLB P06746 3/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSD11B1 P28845 2/20 0.44
NR4A2 P43354 1/20 0.42
CHEK2 O96017 2/20 0.41
BCHE P06276 2/20 0.40
ACHE P22303 2/20 0.40
SLC18A3 Q16572 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
FASN P49327 2/20 0.39
ACACB O00763 1/20 0.39

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
SCHEMBL17350840 1.00 HSP90AA1 (0.47) HSP90AA1ESR2TDP1FGFR1FGFR2
SCHEMBL17350943 0.85 SLC18A3 (0.41) POLBALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL10243674 0.85 SLC18A3 (0.41) POLBALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL17350974 0.81 SLC18A3 (0.42) POLBALDH1A1RAB9ANR4A2SLC18A3
SCHEMBL17350637 0.81 HSD11B1 (0.42) POLBHSD11B1SLC18A3SIGMAR1HRH3
SCHEMBL10243665 0.81 HSD11B1 (0.42) POLBHSD11B1SLC18A3SIGMAR1HRH3
SCHEMBL10244068 0.81 SLC18A3 (0.42) POLBALDH1A1RAB9ANR4A2SLC18A3
SCHEMBL17350881 0.80 POLB (0.46) POLBALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL10243555 0.80 POLB (0.46) POLBALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL10243769 0.80 ESR1 (0.49) POLBALDH1A1HPGDRAB9ASLC18A3

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 HSP90AA1 792/4885ESR2 701/4885TDP1 1204/4885

“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.