SCHEMBL3391271

SCHEMBL3391271

Nc1nccnc1C(=O)N[C@H]1CCc2ccccc2C1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.55
MTNR1B P49286 4/20 0.55
ADORA2A P29274 1/20 0.53
ATR Q13535 1/20 0.48
GRM5 P41594 1/20 0.46
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
PRKCI P41743 2/20 0.44
PIM1 P11309 1/20 0.44
PIM3 Q86V86 1/20 0.44
PIM2 Q9P1W9 1/20 0.44
TAOK1 Q7L7X3 4/20 0.43
TAOK3 Q9H2K8 4/20 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
SCHEMBL3392202 1.00 MTNR1A (0.55) MTNR1AMTNR1BADORA2AATRGRM5
SCHEMBL23770088 0.91 ATR (0.54) ADORA2AATRGRM5PRKCIPIM1
SCHEMBL6523052 0.84 MTNR1A (0.53) MTNR1AMTNR1BADORA2ACA1CA2
SCHEMBL3391287 0.84 MTNR1A (0.53) MTNR1AMTNR1BADORA2ACA1CA2
SCHEMBL2456743 0.77 PRKCI (0.42) ATRGRM5PRKCIPIM1PIM3
SCHEMBL3796915 0.77 ALDH1A1 (0.48) MTNR1AMTNR1BGRM5PRKCI
SCHEMBL3392158 0.76 MTNR1A (0.57) MTNR1AMTNR1BADORA2ACA1CA2
SCHEMBL3423865 0.76 MTNR1A (0.57) MTNR1AMTNR1BADORA2ACA1CA2
SCHEMBL3393202 0.76 MTNR1A (0.60) MTNR1AMTNR1BADORA2AGRM5TAOK1
SCHEMBL23770108 0.76 ALDH1A1 (0.56) GRM5

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 448/4885ADORA2A 1717/4885

“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.