SCHEMBL2835756

SCHEMBL2835756

CCOC(=O)CN1CCC(O)c2ccoc2C1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.38
TDP1 Q9NUW8 1/20 0.36
KDM4E B2RXH2 2/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 4/20 0.35
HSD11B1 P28845 1/20 0.35
LMNA P02545 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GSK3B P49841 2/20 0.34
GSK3A P49840 1/20 0.34
PIN1 Q13526 1/20 0.34
PIN4 Q9Y237 1/20 0.34

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
SCHEMBL2838800 0.81 NPC1 (0.42) NPC1ALDH1A1LMNAMEN1KMT2A
Hydrochloric Acid SCHEMBL2845874 0.76 KDM4E (0.34) PGRTDP1KDM4EALDH1A1SMN1; SMN2
SCHEMBL6642453 0.68 TDP1 (0.41) TDP1KDM4EALDH1A1HSD11B1KMT2A
SCHEMBL9207748 0.67 KDM4E (0.42) KDM4EALDH1A1MEN1KMT2ARAB9A
SCHEMBL14344953 0.66 MAPT (0.38) PGRTDP1KDM4EALDH1A1KMT2A
SCHEMBL26986912 0.65 GSK3B (0.41) TDP1KDM4EALDH1A1HSD11B1KMT2A
SCHEMBL2663390 0.65 MAPT (0.48) TDP1KDM4EALDH1A1LMNARAB9A
SCHEMBL27622744 0.65 SLC18A3 (0.59) KDM4EALDH1A1SMN1; SMN2
SCHEMBL25288553 0.65 THRB (0.43) TDP1KDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL6992740 0.64 SMYD3 (0.44) TDP1KDM4EALDH1A1HSD11B1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8217031-B2 Heteroaryl derivatives NIPPON SHINYAKU CO., LTD. (JP) 2012-07-10 US disclosed
US-20100048537-A1 HETEROARYL DERIVATIVES NIPPON SHINYAKU CO., LTD. (JP) 2010-02-25 US disclosed
EP-2141168-A1 HETEROARYL DERIVATIVES Nippon Shinyaku Co., Ltd. (JP) 2010-01-06 EP 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-20100048537-A1 HETEROARYL DERIVATIVES OPRD1, OPRM1, OPRK1 PGR 2084/4885TDP1 3509/4885KDM4E 3292/4885

“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.