SCHEMBL3286271

SCHEMBL3286271

N#Cc1ccc2c(c1)CC(NC(=O)CC1CCCCC1)CN2Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.52
MTNR1B P49286 1/20 0.52
TSHR P16473 3/20 0.45
FNTA P49354 5/20 0.44
FNTB P49356 5/20 0.44
KMT2A Q03164 1/20 0.44
NAMPT P43490 1/20 0.44
HDAC1 Q13547 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
TEAD1 P28347 1/20 0.41
EPHX2 P34913 1/20 0.40
CHRM4 P08173 1/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HSD17B10 Q99714 2/20 0.39
USP2 O75604 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL3286266 1.00 MTNR1A (0.52) MTNR1AMTNR1BTSHRFNTAFNTB
SCHEMBL3284574 0.92 EPHX2 (0.45) MTNR1AMTNR1BTSHRFNTAFNTB
SCHEMBL3285440 0.92 EPHX2 (0.45) MTNR1AMTNR1BTSHRFNTAFNTB
SCHEMBL3284571 0.92 EPHX2 (0.45) MTNR1AMTNR1BTSHRFNTAFNTB
SCHEMBL3291225 0.92 TSHR (0.45) MTNR1AMTNR1BTSHRFNTAFNTB
SCHEMBL3283977 0.91 MTNR1A (0.51) MTNR1AMTNR1BFNTAFNTBHDAC1
SCHEMBL3283972 0.91 MTNR1A (0.51) MTNR1AMTNR1BFNTAFNTBHDAC1
SCHEMBL14113227 0.91 MTNR1A (0.44) MTNR1AMTNR1BTSHRFNTAFNTB
SCHEMBL3284426 0.88 MTNR1A (0.59) MTNR1AMTNR1BFNTAFNTBHDAC1
SCHEMBL14113226 0.88 MTNR1A (0.59) MTNR1AMTNR1BFNTAFNTBHDAC1

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 5 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-20080200459-A1 TETRAHYDROQUINOLINE CANNABINOID RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2008-08-21 US disclosed
US-20080200459-A1 TETRAHYDROQUINOLINE CANNABINOID RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2008-08-21 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 (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-20080200459-A1 TETRAHYDROQUINOLINE CANNABINOID RECEPTOR MODULATORS CNR1, CNR2, GPR18 MTNR1A 121/4885MTNR1B 44/4885TSHR 482/4885
US-20060160850-A1 Bicyclic heterocycles as cannabinoid receptor modulators CNR1, CNR2, GPR18 MTNR1A 319/4885MTNR1B 208/4885TSHR 599/4885

“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.