SCHEMBL2840305

SCHEMBL2840305

CN1Cc2occc2C(Oc2cccc3ccccc23)C1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 8/20 0.39
SLC6A4 P31645 8/20 0.39
SLC6A3 Q01959 6/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HRH3 Q9Y5N1 4/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL2839613 0.88 HRH3 (0.37) SLC6A2SLC6A4SLC6A3KMT2AMEN1
Hydrochloric Acid SCHEMBL2841722 0.87 KMT2A (0.38) SLC6A2SLC6A4SLC6A3KMT2AMEN1
Hydrochloric Acid SCHEMBL2840782 0.86 GRIN1 (0.37) SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL2838937 0.85 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3
SCHEMBL2841761 0.82 HCRTR2 (0.36) SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL2841858 0.82 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3TSHR
Hydrochloric Acid SCHEMBL2840912 0.82 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3L3MBTL1
SCHEMBL2845458 0.81 DDB1 (0.42) SLC6A2SLC6A4SLC6A3KMT2AMEN1
Hydrochloric Acid SCHEMBL2844303 0.81 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL2840291 0.81 RHEB (0.33) SLC6A2SLC6A4SLC6A3

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.