SCHEMBL3286287

SCHEMBL3286287

N#Cc1ccc2c(c1)CC(NC(=O)NC1CCCCC1)CN2Cc1cccc(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.47
ALOX5 P09917 1/20 0.43
EPHX1 P07099 2/20 0.43
TSHR P16473 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
LMNA P02545 1/20 0.43
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
HDAC1 Q13547 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
FNTA P49354 1/20 0.42
FNTB P49356 1/20 0.42
ACKR3 P25106 3/20 0.42
MAPT P10636 2/20 0.41
ALOX12 P18054 1/20 0.41
HPGD P15428 2/20 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
SCHEMBL3286282 1.00 EPHX2 (0.47) EPHX2ALOX5EPHX1TSHRMEN1
SCHEMBL3285440 0.90 EPHX2 (0.45) EPHX2TSHRKMT2AMTNR1AMTNR1B
SCHEMBL3284571 0.90 EPHX2 (0.45) EPHX2TSHRKMT2AMTNR1AMTNR1B
SCHEMBL3284574 0.90 EPHX2 (0.45) EPHX2TSHRKMT2AMTNR1AMTNR1B
SCHEMBL14113142 0.89 NPC1 (0.43) EPHX2ALOX5EPHX1MEN1KMT2A
SCHEMBL3284449 0.89 MTNR1A (0.40) EPHX2MTNR1AMTNR1BHDAC1HDAC8
SCHEMBL3285626 0.89 MTNR1A (0.40) EPHX2MTNR1AMTNR1BHDAC1HDAC8
SCHEMBL3284456 0.89 MTNR1A (0.40) EPHX2MTNR1AMTNR1BHDAC1HDAC8
SCHEMBL3284195 0.88 CACNA1G (0.47) MEN1KMT2ANPC1LMNAMTNR1A
SCHEMBL3284200 0.88 CACNA1G (0.47) MEN1KMT2ANPC1LMNAMTNR1A

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 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-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 753/4885ALOX5 1628/4885EPHX1 622/4885
US-20060160850-A1 Bicyclic heterocycles as cannabinoid receptor modulators CNR1, CNR2, GPR18 EPHX2 531/4885ALOX5 1583/4885EPHX1 985/4885

“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.