SCHEMBL6510673

SCHEMBL6510673

Cc1n[nH]c(C)c1C(=O)N[C@@H]1CCCc2ccccc21

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.69
TAS1R3 Q7RTX0 6/20 0.67
TAS1R1 Q7RTX1 6/20 0.67
TAS1R2 Q8TE23 5/20 0.67
RECQL P46063 1/20 0.65
CNR1 P21554 2/20 0.59
CNR2 P34972 1/20 0.59
HTT P42858 2/20 0.58
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58
TSHR P16473 1/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
CRHBP P24387 1/20 0.57
CRHR2 Q13324 1/20 0.57
LMNA P02545 2/20 0.57
ALDH1A1 P00352 2/20 0.57
HSD17B10 Q99714 2/20 0.57
USP2 O75604 1/20 0.56
KDM4E B2RXH2 1/20 0.55

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
SCHEMBL3391180 1.00 P2RX7 (0.69) P2RX7TAS1R3TAS1R1TAS1R2RECQL
SCHEMBL3402257 0.82 P2RX7 (1.00) P2RX7TAS1R3TAS1R1TAS1R2HTT
SCHEMBL701434 0.80 TAS1R3 (1.00) TAS1R3TAS1R1TAS1R2RECQLHTT
SCHEMBL701435 0.80 TAS1R3 (1.00) TAS1R3TAS1R1TAS1R2RECQLHTT
SCHEMBL3394399 0.78 TAS1R3 (0.58) P2RX7TAS1R3TAS1R1TAS1R2RECQL
SCHEMBL14335704 0.77 TAS1R3 (0.71) TAS1R3TAS1R1TAS1R2RECQLHTT
SCHEMBL14335714 0.77 TAS1R3 (0.71) TAS1R3TAS1R1TAS1R2RECQLHTT
SCHEMBL14335326 0.77 TAS1R3 (0.71) TAS1R3TAS1R1TAS1R2RECQLHTT
SCHEMBL3391176 0.76 MTNR1A (0.56) P2RX7NPC1RAB9ALMNA
SCHEMBL6510668 0.76 MTNR1A (0.56) P2RX7NPC1RAB9ALMNA

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 P2RX7 4701/4885TAS1R3 2306/4885TAS1R1 1843/4885

“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.