SCHEMBL2839725

SCHEMBL2839725

CCN1CCc2sccc2C(Oc2cccc3ccccc23)C1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.38
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
DRD2 P14416 2/20 0.37
SLC6A4 P31645 1/20 0.37
HHAT Q5VTY9 1/20 0.36
TSHR P16473 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TMEM97 Q5BJF2 2/20 0.36
SIGMAR1 Q99720 2/20 0.36
DRD3 P35462 1/20 0.35

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
SCHEMBL2835731 0.85 MEN1 (0.39) HRH3MEN1KMT2ADRD2HHAT
SCHEMBL2834956 0.84 HHAT (0.38) KMT2ADRD2HHATDRD3
Hydrochloric Acid SCHEMBL2836629 0.84 MEN1 (0.41) HRH3MEN1KMT2ADRD2HHAT
SCHEMBL2839422 0.83 MEN1 (0.39) HRH3MEN1KMT2ATSHRL3MBTL1
SCHEMBL2840332 0.78 SLC6A2 (0.40) HRH3MEN1KMT2ASLC6A4TSHR
SCHEMBL10058617 0.74 PDE3B (0.48) HRH3MEN1KMT2ADRD2SLC6A4
Hydrochloric Acid SCHEMBL2837924 0.74 KMT2A (0.36) HRH3MEN1KMT2ADRD2SLC6A4
Hydrochloric Acid SCHEMBL2839630 0.74 MEN1 (0.42) HRH3MEN1KMT2ASLC6A4HHAT
SCHEMBL2837112 0.73 SLC6A2 (0.38) MEN1KMT2ASLC6A4L3MBTL1DRD3
SCHEMBL2840801 0.72 OPRD1 (0.39) DRD2SLC6A4HHATSIGMAR1DRD3

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 HRH3 777/4885MEN1 3895/4885KMT2A 1371/4885

“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.