SCHEMBL17276366

SCHEMBL17276366

BrCc1ccc2c(c1)N(c1ccccc1)CCCC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.43
OPRM1 P35372 3/20 0.39
HDAC1 Q13547 3/20 0.36
HDAC6 Q9UBN7 3/20 0.36
OPRD1 P41143 2/20 0.35
OPRK1 P41145 2/20 0.35
ALDH1A1 P00352 2/20 0.33
TSHR P16473 2/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
KCNQ2 O43526 1/20 0.33
FAAH O00519 1/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
TRPA1 O75762 1/20 0.33
AVPR2 P30518 3/20 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
SCHEMBL17276390 0.85 ACHE (0.46) ACHEOPRM1HDAC1HDAC6OPRD1
SCHEMBL3501876 0.82 ACHE (0.48) ACHEOPRM1OPRD1OPRK1FAAH
SCHEMBL17275642 0.82 ACHE (0.48) ACHEOPRM1OPRD1OPRK1ALDH1A1
SCHEMBL13709258 0.79 ACHE (0.46) ACHEOPRM1OPRD1OPRK1ALDH1A1
SCHEMBL618870 0.77 OPRM1 (0.48) OPRM1ALDH1A1TSHRMEN1USP2
SCHEMBL17283789 0.76 SRD5A1 (0.41) ACHEALDH1A1TSHRMEN1MAPT
SCHEMBL7629632 0.75 TUBB4A (0.50) HDAC1HDAC6TSHRTP53SIGMAR1
SCHEMBL25177736 0.75 BRD4 (0.48) ACHEALDH1A1TSHRMEN1USP2
SCHEMBL2096904 0.74 DRD1 (0.48) ACHEMAPTSIGMAR1
SCHEMBL6441679 0.74 LMNA (0.43) ACHEOPRM1OPRD1OPRK1ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3145915-B1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME LLC (US) 2025-03-19 EP disclosed
US-10000454-B2 Antidiabetic tricyclic compounds MERCK SHARP & DOHME (US) 2018-06-19 US disclosed
US-20170081287-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME LLC 2017-03-23 US disclosed
WO-2015176267-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2015-11-26 WO 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 (2 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-10000454-B2 Antidiabetic tricyclic compounds GPR119, GPR65, GPR52 ACHE 3255/4885OPRM1 933/4885HDAC1 584/4885
US-20170081287-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS GPR119, GPR65, GPR52 ACHE 3255/4885OPRM1 933/4885HDAC1 584/4885

“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.