SCHEMBL3283249

SCHEMBL3283249

COc1cccc(CCC(=O)NC2Cc3cc(Cl)ccc3N(Cc3ccccc3)C2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.53
MTNR1B P49286 1/20 0.53
SIGMAR1 Q99720 2/20 0.48
TP53 P04637 1/20 0.47
SIRT2 Q8IXJ6 1/20 0.44
SIRT1 Q96EB6 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
RAB9A P51151 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
NPC1 O15118 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42

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
SCHEMBL3284154 0.88 MTNR1A (0.49) MTNR1AMTNR1BSIGMAR1TP53SIRT2
SCHEMBL3288706 0.87 SIGMAR1 (0.57) MTNR1AMTNR1BSIGMAR1
SCHEMBL3285576 0.82 MTNR1A (0.52) MTNR1AMTNR1BSIGMAR1SIRT2SIRT1
SCHEMBL3283908 0.81 SIGMAR1 (0.56) MTNR1AMTNR1BSIGMAR1RAB9AKDM4E
SCHEMBL651178 0.80 MTNR1A (0.60) MTNR1AMTNR1BSIGMAR1ALDH1A1HDAC3
SCHEMBL3283511 0.80 TP53 (0.52) MTNR1AMTNR1BSIGMAR1TP53ALDH1A1
SCHEMBL3291899 0.78 MTNR1A (0.55) MTNR1AMTNR1BALDH1A1GAA
SCHEMBL3286179 0.75 MTNR1A (0.55) MTNR1AMTNR1BSIGMAR1TP53RAB9A
SCHEMBL3285357 0.75 MTNR1A (0.50) MTNR1AMTNR1BSIGMAR1TP53ALDH1A1
SCHEMBL3286080 0.75 MTNR1A (0.50) MTNR1AMTNR1BSIGMAR1TP53ALDH1A1

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 44/4885SIGMAR1 104/4885
US-20060160850-A1 Bicyclic heterocycles as cannabinoid receptor modulators CNR1, CNR2, GPR18 MTNR1A 319/4885MTNR1B 208/4885SIGMAR1 73/4885

“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.