SCHEMBL2838576

SCHEMBL2838576

CN1CCC(O)c2cc(Cl)sc2C1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.33
PARP1 P09874 2/20 0.33
PARP2 Q9UGN5 2/20 0.33
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
F10 P00742 1/20 0.30
HRH4 Q9H3N8 2/20 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
SCHEMBL2840194 0.84 NPC1 (0.35) ATMSLC6A2SLC6A4SLC6A3
SCHEMBL2836592 0.83 GAA (0.32) MEN1KMT2A
Hydrochloric Acid SCHEMBL3585429 0.76 KDM4E (0.38) SLC6A2SLC6A4SLC6A3
SCHEMBL2839500 0.72 NPC1 (0.46) MEN1KMT2A
Hydrochloric Acid SCHEMBL2836949 0.71 TPH1 (0.37) ATMPARP1PARP2MEN1KMT2A
Hydrochloric Acid SCHEMBL2840923 0.70 UTS2R (0.31)
SCHEMBL10513565 0.68 PARP1 (0.43) ATMPARP1PARP2SLC6A4F10
SCHEMBL2838989 0.67 FPR2 (0.37) SLC6A2SLC6A4SLC6A3
SCHEMBL2840963 0.66 SIGMAR1 (0.35) SLC6A2SLC6A4SLC6A3KMT2A
SCHEMBL11212564 0.66 SLC6A2 (0.54) 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 ATM 2583/4885PARP1 2602/4885PARP2 2218/4885

“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.