SCHEMBL3287345

SCHEMBL3287345

O=C(NC1Cc2cc(-c3ccc(F)cc3)ccc2N(Cc2ccccc2)C1)C(O)Cc1cc2ccccc2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.41
MTNR1B P49286 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
CCKBR P32239 1/20 0.39
ADAMTS4 O75173 1/20 0.39
DRD2 P14416 2/20 0.36
DRD4 P21917 2/20 0.36
TEAD1 P28347 1/20 0.36
TSHR P16473 1/20 0.36
TRPV1 Q8NER1 1/20 0.35
CNR1 P21554 1/20 0.35
BRD4 O60885 1/20 0.35
SCN9A Q15858 1/20 0.34
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34

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
SCHEMBL3284139 0.90 MTNR1A (0.48) MTNR1AMTNR1BMEN1ALDH1A1GAA
SCHEMBL13359246 0.90 MTNR1A (0.48) MTNR1AMTNR1BMEN1ALDH1A1GAA
SCHEMBL3286018 0.90 MTNR1A (0.48) MTNR1AMTNR1BMEN1ALDH1A1GAA
SCHEMBL3285777 0.84 MTNR1A (0.48) MTNR1AMTNR1BMEN1ALDH1A1GAA
SCHEMBL3287060 0.80 MTNR1A (0.54) MTNR1AMTNR1BMEN1ALDH1A1GAA
SCHEMBL653090 0.76 MTNR1A (0.50) MTNR1AMTNR1BMEN1ALDH1A1GAA
SCHEMBL3286179 0.76 MTNR1A (0.55) MTNR1AMTNR1BMEN1ALDH1A1GAA
SCHEMBL3284854 0.74 MTNR1A (0.51) MTNR1AMTNR1BMEN1ALDH1A1GAA
SCHEMBL652073 0.73 MTNR1A (0.52) MTNR1AMTNR1BMEN1ALDH1A1GAA
SCHEMBL3286260 0.72 MTNR1A (0.51) 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.