SCHEMBL3395170

SCHEMBL3395170

Cc1cnc(C(=O)N[C@H]2CCc3ccccc3C2)cn1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.62
MTNR1B P49286 6/20 0.62
POLB P06746 1/20 0.51
NPC1 O15118 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
RAB9A P51151 2/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
ADORA2A P29274 1/20 0.45
TAOK3 Q9H2K8 2/20 0.44
TAOK1 Q7L7X3 1/20 0.44
DHODH Q02127 1/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
LMNA P02545 1/20 0.43

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
SCHEMBL3388818 1.00 MTNR1A (0.62) MTNR1AMTNR1BPOLBNPC1SMN1; SMN2
SCHEMBL3394258 0.84 MTNR1A (0.60) MTNR1AMTNR1BADORA2ATAOK3TAOK1
SCHEMBL3394439 0.84 MTNR1A (0.60) MTNR1AMTNR1BADORA2ATAOK3TAOK1
SCHEMBL1970411 0.77 MTNR1A (1.00) MTNR1AMTNR1BMAOAMAOB
SCHEMBL1970413 0.77 MTNR1A (1.00) MTNR1AMTNR1BMAOAMAOB
SCHEMBL3795877 0.77 MTNR1A (0.51) MTNR1AMTNR1BNPC1MAPT
SCHEMBL3423865 0.76 MTNR1A (0.57) MTNR1AMTNR1BNPC1RAB9AADORA2A
SCHEMBL3392158 0.76 MTNR1A (0.57) MTNR1AMTNR1BNPC1RAB9AADORA2A
SCHEMBL9851515 0.76 MTNR1A (0.73) MTNR1AMTNR1BMAOAMAOB
SCHEMBL30612411 0.76 MTNR1A (0.73) MTNR1AMTNR1BMAOAMAOB

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 5 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
EP-1370530-A1 ACYLATED 1,2,3,4-TETRAHYDRONAPHTHYL AMINES AND THEIR USE AS PHARMACEUTICAL Aventis Pharma Deutschland GmbH (DE) 2003-12-17 EP 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
WO-2002064565-A1 ACYLATED 1,2,3,4-TETRAHYDRONAPHTHYL AMINES AND THEIR USE AS PHARMACEUTICAL AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-08-22 WO 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 448/4885POLB 3488/4885

“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.