SCHEMBL4033263

SCHEMBL4033263

c1ccc(CNCC2(c3ccccc3)CCNCC2)cc1

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 14/20 0.69
OPRM1 P35372 1/20 0.46
SLC6A4 P31645 3/20 0.43
KCNH2 Q12809 1/20 0.43
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL8824386 0.86 TACR1 (0.67) TACR1OPRM1SLC6A4KCNH2
Hydrochloric Acid SCHEMBL8824373 0.84 TACR1 (0.66) TACR1OPRM1SLC6A4KCNH2TSHR
SCHEMBL9669305 0.84 TACR1 (0.55) TACR1OPRM1SLC6A4KCNH2TSHR
SCHEMBL8824356 0.82 TACR1 (1.00) TACR1SLC6A4KCNH2
Hydrochloric Acid SCHEMBL8824383 0.81 TACR1 (0.98) TACR1SLC6A4KCNH2
SCHEMBL12492922 0.79 TACR1 (0.46) TACR1OPRM1TSHRMEN1KMT2A
SCHEMBL6381424 0.78 SLC6A4 (0.69) TACR1OPRM1SLC6A4
SCHEMBL8824368 0.78 TACR1 (0.52) TACR1TSHRMEN1KMT2A
SCHEMBL5736780 0.77 L3MBTL1 (0.46) TACR1OPRM1SLC6A4TSHRHTT
Hydrochloric Acid SCHEMBL8824364 0.77 HTR2A (0.51) TACR1MEN1KMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL-MYERS SQUIBB COMPANY 2009-12-17 US disclosed
EP-1501467-A4 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL MYERS SQUIBB CO (US) 2009-08-19 EP disclosed
EP-1501467-A2 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION Bristol-Myers Squibb Company (US) 2005-02-02 EP disclosed
WO-2003088908-A2 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2003-10-30 WO disclosed
EP-1126849-A4 HETEROCYCLIC POTASSIUM CHANNEL INHIBITORS MERCK & CO INC (US) 2003-06-04 EP disclosed
EP-1126849-A1 HETEROCYCLIC POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2001-08-29 EP disclosed
WO-2000025786-A1 HETEROCYCLIC POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2000-05-11 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 (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-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNH2, KCNQ5 TACR1 3354/4885OPRM1 2850/4885SLC6A4 2532/4885

“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.