SCHEMBL2836724

SCHEMBL2836724

Cc1cc2c(s1)C(Oc1cccc(Br)c1Cl)CCN(C)C2

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SSTR1 P30872 1/20 0.32
SSTR4 P31391 1/20 0.32
ATM Q13315 1/20 0.32
ACHE P22303 4/20 0.31
BCHE P06276 2/20 0.31
LMNA P02545 2/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
MEN1 O00255 1/20 0.30
ALOX15 P16050 1/20 0.30
KMT2A Q03164 1/20 0.30
ALDH1A1 P00352 1/20 0.30
OPRM1 P35372 1/20 0.30

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
SCHEMBL2839698 0.89 SLC6A2 (0.32)
SCHEMBL2835922 0.89 SSTR1 (0.38) SSTR1SSTR4ATMLMNAMEN1
SCHEMBL2844218 0.83 UTS2R (0.30) SSTR1SSTR4
SCHEMBL2840841 0.81 MEN1 (0.37) MEN1KMT2A
SCHEMBL2841599 0.80 SLC6A4 (0.32)
SCHEMBL2838841 0.78 SLC6A2 (0.37) SSTR1SSTR4LMNAALDH1A1
Hydrochloric Acid SCHEMBL2840923 0.77 UTS2R (0.31) SSTR1SSTR4
SCHEMBL2836848 0.77 PNMT (0.30)
SCHEMBL2838984 0.76 KDM4E (0.37) ALDH1A1
SCHEMBL2841339 0.74 SSTR1 (0.32) SSTR1SSTR4

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 SSTR1 720/4885SSTR4 1737/4885ATM 2583/4885

“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.