SCHEMBL3395112

SCHEMBL3395112

Cc1nc(C(F)(F)F)c(C(=O)N[C@H]2CCc3ccccc3C2)s1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.50
MTNR1B P49286 4/20 0.50
MAPT P10636 4/20 0.47
HSD11B1 P28845 1/20 0.47
MCL1 Q07820 1/20 0.46
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
KDM4E B2RXH2 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CHRM4 P08173 4/20 0.45
ADORA2A P29274 1/20 0.43
GAA P10253 1/20 0.42
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL3392234 1.00 MTNR1A (0.50) MTNR1AMTNR1BMAPTHSD11B1MCL1
SCHEMBL6515251 0.85 CNR1 (0.61) MTNR1AMTNR1BCNR1CNR2SMN1; SMN2
SCHEMBL3390946 0.85 CNR1 (0.61) MTNR1AMTNR1BCNR1CNR2SMN1; SMN2
SCHEMBL6520141 0.79 CNR1 (0.75) MAPTCNR1CNR2KDM4EHTT
SCHEMBL3395117 0.79 CNR1 (0.75) MAPTCNR1CNR2KDM4EHTT
SCHEMBL3395386 0.75 CNR1 (0.64) MTNR1AMTNR1BMAPTCNR1CNR2
SCHEMBL3391235 0.75 MTNR1A (0.51) MTNR1AMTNR1BMCL1ADORA2AGAA
SCHEMBL3393766 0.75 MTNR1A (0.51) MTNR1AMTNR1BMCL1ADORA2AGAA
SCHEMBL6511965 0.75 CNR1 (0.64) MTNR1AMTNR1BMAPTCNR1CNR2
SCHEMBL6515896 0.72 MTNR1A (0.43) MTNR1AMTNR1BMAPTMCL1ADORA2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1370530-B1 ACYLATED 1,2,3,4-TETRAHYDRONAPHTHYL AMINES AND THEIR USE AS PHARMACEUTICAL SANOFI AVENTIS DEUTSCHLAND (DE) 2010-12-29 EP disclosed
US-6949556-B2 Acylated 1,2,3,4-tetrahydronaphthyl amines and their use as pharmaceutical agents AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-09-27 US disclosed
US-20030022935-A1 Acylated 1,2,3,4-tetrahydronaphthyl amines and their use as pharmaceutical agents SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2003-01-30 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 (1 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-20030022935-A1 Acylated 1,2,3,4-tetrahydronaphthyl amines and their use as pharmaceutical agents VEGFA, EDNRA, NR1H2 MTNR1A 604/4885MTNR1B 448/4885MAPT 3757/4885

“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.