SCHEMBL3286018

SCHEMBL3286018

O=C(NC1Cc2cc(-c3ccc(F)cc3)ccc2N(Cc2ccccc2)C1)[C@@H](O)Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.48
MTNR1B P49286 2/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
GAA P10253 1/20 0.48
DRD2 P14416 2/20 0.42
DRD4 P21917 2/20 0.42
TEAD1 P28347 1/20 0.41
BRD4 O60885 2/20 0.40
SCN9A Q15858 1/20 0.37
MAPT P10636 1/20 0.37
GRM7 Q14831 1/20 0.37
SIGMAR1 Q99720 3/20 0.37
ALOX5 P09917 1/20 0.37
EPHX2 P34913 1/20 0.37
SLC6A12 P48065 1/20 0.37
TMEM97 Q5BJF2 1/20 0.37
MCHR1 Q99705 1/20 0.37
CTSL P07711 1/20 0.37

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
SCHEMBL13359246 1.00 MTNR1A (0.48) MTNR1AMTNR1BKMT2AMEN1ALDH1A1
SCHEMBL3284139 1.00 MTNR1A (0.48) MTNR1AMTNR1BKMT2AMEN1ALDH1A1
SCHEMBL3285777 0.92 MTNR1A (0.48) MTNR1AMTNR1BKMT2AMEN1ALDH1A1
SCHEMBL3287345 0.90 MTNR1A (0.41) MTNR1AMTNR1BKMT2AMEN1ALDH1A1
SCHEMBL3287060 0.87 MTNR1A (0.54) MTNR1AMTNR1BKMT2AMEN1ALDH1A1
SCHEMBL3286179 0.83 MTNR1A (0.55) MTNR1AMTNR1BKMT2AMEN1ALDH1A1
SCHEMBL653090 0.83 MTNR1A (0.50) MTNR1AMTNR1BKMT2AMEN1ALDH1A1
SCHEMBL3284854 0.81 MTNR1A (0.51) MTNR1AMTNR1BKMT2AMEN1ALDH1A1
SCHEMBL652073 0.80 MTNR1A (0.52) MTNR1AMTNR1BKMT2AMEN1ALDH1A1
SCHEMBL3286260 0.79 MTNR1A (0.51) MTNR1AMTNR1BKMT2AMEN1ALDH1A1

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 6 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-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 44/4885KMT2A 1576/4885
US-20060160850-A1 Bicyclic heterocycles as cannabinoid receptor modulators CNR1, CNR2, GPR18 MTNR1A 319/4885MTNR1B 208/4885KMT2A 2597/4885

“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.