SCHEMBL2837112

SCHEMBL2837112

c1ccc2c(OC3CNCCc4sccc43)cccc2c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.38
SLC6A4 P31645 4/20 0.38
SLC6A3 Q01959 4/20 0.38
MEN1 O00255 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GID4 Q8IVV7 2/20 0.34
DRD3 P35462 1/20 0.33
HTR6 P50406 1/20 0.33
PNMT P11086 1/20 0.33
NISCH Q9Y2I1 1/20 0.32
HTR2C P28335 1/20 0.32

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
Hydrochloric Acid SCHEMBL2841009 0.86 SLC6A2 (0.36) SLC6A2SLC6A4SLC6A3MEN1RAB9A
SCHEMBL2836825 0.81 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3MEN1RAB9A
Hydrochloric Acid SCHEMBL2844297 0.80 IMPDH2 (0.40) DRD3PNMT
Hydrochloric Acid SCHEMBL2841400 0.80 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3MEN1RAB9A
SCHEMBL2835731 0.78 MEN1 (0.39) MEN1KMT2AL3MBTL1DRD3
Hydrochloric Acid SCHEMBL2836629 0.77 MEN1 (0.41) MEN1KMT2AL3MBTL1DRD3
Hydrochloric Acid SCHEMBL3575016 0.77 GID4 (0.38) SLC6A2SLC6A4SLC6A3GID4DRD3
SCHEMBL2839725 0.73 HRH3 (0.38) SLC6A4MEN1KMT2AL3MBTL1DRD3
SCHEMBL2840332 0.72 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3MEN1RAB9A
SCHEMBL6956528 0.71 SLC6A2 (0.56) SLC6A2SLC6A4SLC6A3HTR2C

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.