SCHEMBL2835759

SCHEMBL2835759

Cc1cc2c(o1)CN(C)CCC2Oc1cccc2ccccc12

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
RAB9A P51151 1/20 0.37
HCRTR1 O43613 2/20 0.36
HCRTR2 O43614 2/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
PDE10A Q9Y233 1/20 0.36
HRH3 Q9Y5N1 4/20 0.35
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
TSHR P16473 1/20 0.34
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
HTR6 P50406 1/20 0.33
PREP P48147 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
Hydrochloric Acid SCHEMBL2841025 0.99 MEN1 (0.37) MEN1KMT2AL3MBTL1RAB9AHCRTR1
Cadaverine Tartrate SCHEMBL2836879 0.91 MEN1 (0.36) MEN1KMT2AL3MBTL1RAB9AHCRTR1
Cadaverine Tartrate SCHEMBL2836884 0.91 MEN1 (0.36) MEN1KMT2AL3MBTL1RAB9AHCRTR1
Hydrochloric Acid SCHEMBL2835875 0.88 SLC6A2 (0.38) MEN1KMT2AL3MBTL1RAB9APDE3B
SCHEMBL2844309 0.87 TP53 (0.41) MEN1KMT2AL3MBTL1RAB9ATSHR
Hydrochloric Acid SCHEMBL2842820 0.86 TP53 (0.40) MEN1KMT2AL3MBTL1RAB9ATSHR
SCHEMBL2837938 0.85 PKM (0.33) L3MBTL1NOS3NOS1NOS2
Hydrochloric Acid SCHEMBL2872179 0.84 PKM (0.32) L3MBTL1NOS3NOS1NOS2
Hydrochloric Acid SCHEMBL2842459 0.83 HRH3 (0.37) MEN1KMT2AL3MBTL1RAB9AHRH3
Hydrochloric Acid SCHEMBL2841936 0.83 SSTR1 (0.38) MEN1KMT2ASLC6A2SLC6A4SLC6A3

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 6 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 claimed
US-20100048537-A1 HETEROARYL DERIVATIVES NIPPON SHINYAKU CO., LTD. (JP) 2010-02-25 US claimed
EP-2141168-A1 HETEROARYL DERIVATIVES Nippon Shinyaku Co., Ltd. (JP) 2010-01-06 EP claimed
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 MEN1 3895/4885KMT2A 1371/4885L3MBTL1 2724/4885

“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.