SCHEMBL2840841

SCHEMBL2840841

Cc1cc2c(s1)C(Oc1cccc3ccccc13)CCN(C)C2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
TSHR P16473 1/20 0.36
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 3/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
PREP P48147 1/20 0.35
RAB9A P51151 1/20 0.34
NR1D1 P20393 1/20 0.34
HTR1A P08908 1/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
SLC6A2 P23975 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
SCHEMBL2834942 0.89 SLC6A2 (0.38) MEN1KMT2AL3MBTL1TSHRPDE3B
SCHEMBL2835922 0.84 SSTR1 (0.38) MEN1KMT2AHRH3
SCHEMBL2840628 0.82 HCRTR1 (0.36) MEN1KMT2AL3MBTL1TSHRHCRTR1
SCHEMBL2839075 0.82 IMPDH2 (0.39) MEN1KMT2ATSHRRAB9A
Hydrochloric Acid SCHEMBL2841547 0.81 MEN1 (0.37) MEN1KMT2AL3MBTL1TSHRHCRTR1
SCHEMBL2836724 0.81 SSTR1 (0.32) MEN1KMT2A
SCHEMBL2845541 0.79 MEN1 (0.37) MEN1KMT2AL3MBTL1TSHRHRH3
SCHEMBL2839592 0.76 SLC6A2 (0.34) MEN1KMT2AL3MBTL1RAB9ASLC6A2
Hydrochloric Acid SCHEMBL2842719 0.76 MEN1 (0.37) MEN1KMT2AL3MBTL1TSHRPDE3B
SCHEMBL2841757 0.75 KMT2A (0.39) MEN1KMT2AL3MBTL1TSHRPDE3B

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 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.