SCHEMBL3287422

SCHEMBL3287422

O=C(NC1Cc2cc(Cl)ccc2N(Cc2ccccc2)C1)c1ccccc1-n1cccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.53
MTNR1B P49286 2/20 0.53
SLC6A12 P48065 1/20 0.45
CCR3 P51677 1/20 0.43
TEAD1 P28347 1/20 0.42
ALDH1A1 P00352 3/20 0.41
DRD4 P21917 1/20 0.39
CYP2C19 P33261 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
CNR1 P21554 2/20 0.39
CNR2 P34972 2/20 0.39
HDAC1 Q13547 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
HDAC3 O15379 1/20 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
SCHEMBL651178 0.83 MTNR1A (0.60) MTNR1AMTNR1BSLC6A12TEAD1ALDH1A1
SCHEMBL3284241 0.82 MTNR1A (0.50) MTNR1AMTNR1BSLC6A12TEAD1ALDH1A1
SCHEMBL3291899 0.77 MTNR1A (0.55) MTNR1AMTNR1BTEAD1ALDH1A1CYP2C9
SCHEMBL12667026 0.76 MTNR1A (0.51) MTNR1AMTNR1BTEAD1HDAC1HDAC8
SCHEMBL3284594 0.74 MTNR1A (0.52) MTNR1AMTNR1BTEAD1ALDH1A1MEN1
SCHEMBL3288706 0.74 SIGMAR1 (0.57) MTNR1AMTNR1B
SCHEMBL3283908 0.74 SIGMAR1 (0.56) MTNR1AMTNR1BALDH1A1MEN1GAA
SCHEMBL429257 0.73 MTNR1A (0.77) MTNR1AMTNR1BTEAD1ALDH1A1MEN1
SCHEMBL3282873 0.73 MTNR1A (0.50) MTNR1AMTNR1BTEAD1ALDH1A1MEN1
SCHEMBL3285576 0.73 MTNR1A (0.52) MTNR1AMTNR1BALDH1A1MEN1KMT2A

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 MTNR1A 121/4885MTNR1B 44/4885SLC6A12 1810/4885
US-20060160850-A1 Bicyclic heterocycles as cannabinoid receptor modulators CNR1, CNR2, GPR18 MTNR1A 319/4885MTNR1B 208/4885SLC6A12 2929/4885

“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.