SCHEMBL3284571

SCHEMBL3284571

N#Cc1ccc2c(c1)C[C@@H](NC(=O)CC1CCCCC1)CN2Cc1cccc(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.45
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
TSHR P16473 1/20 0.44
KMT2A Q03164 1/20 0.43
NAMPT P43490 1/20 0.41
HDAC1 Q13547 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
FNTA P49354 2/20 0.40
FNTB P49356 2/20 0.40
TEAD1 P28347 1/20 0.40
SIGMAR1 Q99720 2/20 0.39
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
THRB P10828 1/20 0.38
HPGD P15428 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.38
SIRT1 Q96EB6 1/20 0.38
ACKR3 P25106 2/20 0.38

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
SCHEMBL3284574 1.00 EPHX2 (0.45) EPHX2MTNR1AMTNR1BTSHRKMT2A
SCHEMBL3285440 1.00 EPHX2 (0.45) EPHX2MTNR1AMTNR1BTSHRKMT2A
SCHEMBL3286266 0.92 MTNR1A (0.52) EPHX2MTNR1AMTNR1BTSHRKMT2A
SCHEMBL3286271 0.92 MTNR1A (0.52) EPHX2MTNR1AMTNR1BTSHRKMT2A
SCHEMBL14113227 0.90 MTNR1A (0.44) MTNR1AMTNR1BTSHRKMT2ANAMPT
SCHEMBL3286287 0.90 EPHX2 (0.47) EPHX2MTNR1AMTNR1BTSHRKMT2A
SCHEMBL3286282 0.90 EPHX2 (0.47) EPHX2MTNR1AMTNR1BTSHRKMT2A
SCHEMBL3284773 0.87 MTNR1A (0.52) EPHX2MTNR1AMTNR1BHDAC1HDAC8
SCHEMBL3284781 0.87 MTNR1A (0.52) EPHX2MTNR1AMTNR1BHDAC1HDAC8
SCHEMBL3285626 0.86 MTNR1A (0.40) EPHX2MTNR1AMTNR1BHDAC1HDAC8

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
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
WO-2006078697-A1 BICYCLIC HETEROCYCLES AS CANNABINOID RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-07-27 WO 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 EPHX2 753/4885MTNR1A 121/4885MTNR1B 44/4885
US-20060160850-A1 Bicyclic heterocycles as cannabinoid receptor modulators CNR1, CNR2, GPR18 EPHX2 531/4885MTNR1A 319/4885MTNR1B 208/4885

“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.