SCHEMBL6515896

SCHEMBL6515896

O=C(N[C@@H]1CCc2ccccc2C1)c1cc2sccc2nc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.43
MTNR1B P49286 4/20 0.43
MCL1 Q07820 1/20 0.41
SYK P43405 1/20 0.40
ADORA2A P29274 1/20 0.38
LMNA P02545 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
ROCK2 O75116 2/20 0.36
MAPT P10636 2/20 0.36
POLB P06746 1/20 0.35
CCR2 P41597 1/20 0.35
HDAC8 Q9BY41 2/20 0.35
BRAF P15056 1/20 0.34

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
SCHEMBL7147765 0.81 CNR1 (0.55) LMNA
SCHEMBL3392234 0.72 MTNR1A (0.50) MTNR1AMTNR1BMCL1ADORA2AMAPT
SCHEMBL3395112 0.72 MTNR1A (0.50) MTNR1AMTNR1BMCL1ADORA2AMAPT
SCHEMBL3391235 0.71 MTNR1A (0.51) MTNR1AMTNR1BMCL1SYKADORA2A
SCHEMBL3393766 0.71 MTNR1A (0.51) MTNR1AMTNR1BMCL1SYKADORA2A
SCHEMBL3422682 0.66 MTNR1A (0.50) MTNR1AMTNR1BHDAC8
SCHEMBL3390877 0.66 MTNR1A (0.50) MTNR1AMTNR1BHDAC8
SCHEMBL3391277 0.66 MTNR1A (0.59) MTNR1AMTNR1BSYKADORA2ALMNA
SCHEMBL9731843 0.65 MTNR1A (0.67) MTNR1AMTNR1BNPC1RAB9A
SCHEMBL3801834 0.65 LMNA (0.49) MTNR1AMTNR1BLMNANPC1RAB9A

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-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 448/4885MCL1 865/4885

“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.