SCHEMBL7034259

SCHEMBL7034259

[2H]C([2H])([2H])N(C(=O)OCc1ccccc1)C([2H])([2H])C([2H])([2H])C([2H])([2H])c1nc2ccccc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.46
HSD17B10 Q99714 2/20 0.43
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 2/20 0.43
PKM P14618 1/20 0.43
HTT P42858 1/20 0.43
MAPT P10636 4/20 0.43
TDP1 Q9NUW8 1/20 0.42
GAA P10253 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CHRM1 P11229 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
MAPK1 P28482 1/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL8326626 0.78 NPC1 (0.52) GRIN2BHSD17B10NPC1RAB9ASMN1; SMN2
SCHEMBL2370574 0.75 ALDH1A1 (0.44) NPC1RAB9ASMN1; SMN2LMNAMAPT
SCHEMBL28352297 0.69 MAPT (0.72) GRIN2BHSD17B10NPC1RAB9ASMN1; SMN2
SCHEMBL7330117 0.69 RXFP1 (0.50) NPC1RAB9ASMN1; SMN2MAPTTDP1
SCHEMBL21240753 0.69 DAGLA (0.54) GRIN2BHSD17B10RAB9ASMN1; SMN2LMNA
SCHEMBL18765170 0.68 GRIN2B (0.47) GRIN2BHSD17B10NPC1RAB9ASMN1; SMN2
SCHEMBL7035699 0.68 ALDH1A1 (0.47) LMNAMAPTTDP1ALDH1A1MAPK1
SCHEMBL8330564 0.68 KMT2A (0.52) GRIN2BNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL8329019 0.67 ITGB3 (0.45) GRIN2BNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL31473983 0.67 ALDH1A1 (0.49) NPC1RAB9ALMNAMAPTTDP1

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-8575361-B2 Tetrahydronaphthalene derivatives CONCERT PHARMACEUTICALS INC. (US) 2013-11-05 US disclosed
US-8513434-B2 Tetrahydronaphthalene derivatives CONCERT PHARMACEUTICALS INC. (US) 2013-08-20 US disclosed
US-20120122944-A1 TETRAHYDRONAPHTHALENE DERIVATIVES CONCERT PHARMACEUTICALS INC. (US) 2012-05-17 US disclosed
US-20110237635-A1 TETRAHYDRONAPHTHALENE DERIVATIVES CONCERT PHARMACEUTICALS INC. (US) 2011-09-29 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 (2 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-20120122944-A1 TETRAHYDRONAPHTHALENE DERIVATIVES CACNA1H, CACNA1I, CACNA1G GRIN2B 1089/4885HSD17B10 1132/4885NPC1 794/4885
US-20110237635-A1 TETRAHYDRONAPHTHALENE DERIVATIVES CACNA1H, CACNA1I, CACNA1G GRIN2B 1089/4885HSD17B10 1132/4885NPC1 794/4885

“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.