SCHEMBL3390165

SCHEMBL3390165

Cc1c(C(=O)N[C@H]2CCc3ccccc3C2)cnn1-c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.52
NPC1 O15118 9/20 0.52
PKM P14618 3/20 0.52
HPGD P15428 2/20 0.52
MTNR1A P48039 3/20 0.51
MTNR1B P49286 3/20 0.51
MAPK1 P28482 1/20 0.51
ROCK2 O75116 2/20 0.50
HSD11B1 P28845 1/20 0.49
NAMPT P43490 1/20 0.49
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL3394452 1.00 RAB9A (0.52) RAB9ANPC1PKMHPGDMTNR1A
SCHEMBL2079208 0.92 RAB9A (0.57) RAB9ANPC1PKMHPGDMAPK1
SCHEMBL3395172 0.90 NPC1 (0.56) RAB9ANPC1PKMHPGDMTNR1A
SCHEMBL3392885 0.90 NPC1 (0.56) RAB9ANPC1PKMHPGDMTNR1A
SCHEMBL4788131 0.84 TRPV4 (0.49) RAB9ANPC1PKMHPGDMTNR1A
SCHEMBL2854511 0.83 SPR (0.64) RAB9ANPC1PKMHPGDMAPK1
SCHEMBL2460594 0.83 ROCK2 (0.51) RAB9ANPC1PKMHPGDMAPK1
SCHEMBL2079211 0.82 SPR (0.67) RAB9ANPC1PKMHPGDMAPK1
SCHEMBL546126 0.80 BRAF (0.45) RAB9ANPC1PKMNFKB1NFKB2
SCHEMBL3394457 0.78 SPR (0.68)

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 RAB9A 2507/4885NPC1 425/4885PKM 2394/4885

“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.