SCHEMBL2839592

SCHEMBL2839592

Cc1cc2c(s1)C(Oc1cccc3ccccc13)CNC2

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.34
SLC6A4 P31645 4/20 0.34
SLC6A3 Q01959 4/20 0.34
CYP2D6 P10635 1/20 0.33
LMNA P02545 1/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
RAB9A P51151 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PNMT P11086 1/20 0.31
HTR6 P50406 1/20 0.30
MCL1 Q07820 2/20 0.30
KDM4E B2RXH2 1/20 0.30
MAPT P10636 1/20 0.30
ALOX12 P18054 1/20 0.30

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
SCHEMBL2839562 0.82 IMPDH2 (0.42) PNMT
SCHEMBL2841056 0.81 SLC6A2 (0.34) SLC6A2SLC6A4SLC6A3CYP2D6LMNA
Hydrochloric Acid SCHEMBL3576795 0.80 SLC6A2 (0.34) SLC6A2SLC6A4SLC6A3CYP2D6LMNA
Hydrochloric Acid SCHEMBL2837990 0.78 SLC6A3 (0.33) SLC6A2SLC6A4SLC6A3LMNAMEN1
SCHEMBL2834942 0.78 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL2840841 0.76 MEN1 (0.37) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL2845541 0.75 MEN1 (0.37) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL2839417 0.72 KMT2A (0.35) SLC6A2SLC6A4SLC6A3CYP2D6LMNA
SCHEMBL2837913 0.71 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3PNMT
SCHEMBL2836825 0.70 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3MEN1KMT2A

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 SLC6A2 196/4885SLC6A4 185/4885SLC6A3 118/4885

“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.