SCHEMBL3286004

SCHEMBL3286004

N#Cc1ccc2c(c1)CC(NC(=O)OCc1ccccc1)CN2Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.50
MTNR1B P49286 1/20 0.50
CTSL P07711 1/20 0.50
CTSB P07858 1/20 0.50
CTSK P43235 1/20 0.50
FNTA P49354 5/20 0.46
FNTB P49356 5/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
ACHE P22303 2/20 0.44
RORC P51449 1/20 0.44
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
CHRM4 P08173 1/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
TSHR P16473 1/20 0.42
ADAM10 O14672 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
SCHEMBL3286000 1.00 MTNR1A (0.50) MTNR1AMTNR1BCTSLCTSBCTSK
SCHEMBL3288896 1.00 MTNR1A (0.50) MTNR1AMTNR1BCTSLCTSBCTSK
SCHEMBL14113226 0.86 MTNR1A (0.59) MTNR1AMTNR1BFNTAFNTBHDAC1
SCHEMBL3284426 0.86 MTNR1A (0.59) MTNR1AMTNR1BFNTAFNTBHDAC1
SCHEMBL3283969 0.85 MTNR1A (0.47) MTNR1AMTNR1BFNTAFNTBALDH1A1
SCHEMBL3285637 0.85 MTNR1A (0.47) MTNR1AMTNR1BFNTAFNTBALDH1A1
SCHEMBL3283976 0.85 MTNR1A (0.47) MTNR1AMTNR1BFNTAFNTBALDH1A1
SCHEMBL3284890 0.84 MTNR1A (0.46) MTNR1AMTNR1BFNTAFNTBALDH1A1
SCHEMBL3284324 0.84 MTNR1A (0.46) MTNR1AMTNR1BFNTAFNTBRORC
SCHEMBL3284322 0.84 MTNR1A (0.46) MTNR1AMTNR1BFNTAFNTBRORC

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-7709647-B2 Tetrahydroquinoline cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2010-05-04 US claimed
US-7709647-B2 Tetrahydroquinoline cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2010-05-04 US disclosed
US-20060160850-A1 Bicyclic heterocycles as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY 2006-07-20 US 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-20060160850-A1 Bicyclic heterocycles as cannabinoid receptor modulators CNR1, CNR2, GPR18 MTNR1A 319/4885MTNR1B 208/4885CTSL 3136/4885

“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.