SCHEMBL3285357

SCHEMBL3285357

O=C(CCc1cccc(O)c1)NC1Cc2cc(-c3ccc(F)cc3)ccc2N(Cc2ccccc2)C1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.50
MTNR1B P49286 1/20 0.50
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43
SIGMAR1 Q99720 4/20 0.42
TEAD1 P28347 1/20 0.41
TP53 P04637 1/20 0.41
NPC1 O15118 1/20 0.40
DRD2 P14416 2/20 0.40
DRD4 P21917 2/20 0.40
NPSR1 Q6W5P4 1/20 0.38
BRD4 O60885 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
HCAR2 Q8TDS4 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
SCHEMBL3286179 0.93 MTNR1A (0.55) MTNR1AMTNR1BMEN1ALDH1A1GAA
SCHEMBL3286260 0.92 MTNR1A (0.51) MTNR1AMTNR1BMEN1ALDH1A1GAA
SCHEMBL3284154 0.88 MTNR1A (0.49) MTNR1AMTNR1BMEN1ALDH1A1GAA
SCHEMBL3285888 0.88 MTNR1A (0.50) MTNR1AMTNR1BMEN1ALDH1A1GAA
SCHEMBL3283511 0.86 TP53 (0.52) MTNR1AMTNR1BMEN1ALDH1A1GAA
SCHEMBL3287060 0.84 MTNR1A (0.54) MTNR1AMTNR1BMEN1ALDH1A1GAA
SCHEMBL3286080 0.84 MTNR1A (0.50) MTNR1AMTNR1BMEN1ALDH1A1GAA
SCHEMBL653090 0.80 MTNR1A (0.50) MTNR1AMTNR1BMEN1ALDH1A1GAA
SCHEMBL648896 0.80 FNTA (0.43) MTNR1AMTNR1BMEN1ALDH1A1GAA
SCHEMBL648895 0.80 FNTA (0.43) MTNR1AMTNR1BMEN1ALDH1A1GAA

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 44/4885MEN1 1809/4885
US-20060160850-A1 Bicyclic heterocycles as cannabinoid receptor modulators CNR1, CNR2, GPR18 MTNR1A 319/4885MTNR1B 208/4885MEN1 2832/4885

“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.