SCHEMBL4500876

SCHEMBL4500876

O=C1NC=NC12c1ccccc1CCc1ccccc12

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
AKR1B1 P15121 2/20 0.40
NPC1 O15118 1/20 0.38
MAPK13 O15264 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38
MAPK14 Q16539 1/20 0.38
HTR2A P28223 1/20 0.38
CES1 P23141 1/20 0.34
SRD5A1 P18405 1/20 0.33
CYP2A6 P11509 1/20 0.33
CASP6 P55212 1/20 0.33

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
SCHEMBL7070214 0.64 CHRM2 (0.42) TSHRTDP1AKR1B1NPC1MAPK13
SCHEMBL9194271 0.64 NPC1 (0.44) TSHRTDP1AKR1B1NPC1MAPK13
SCHEMBL2061748 0.61 CHRM2 (0.49) TSHRTDP1AKR1B1NPC1MAPK13
SCHEMBL29858318 0.61 CHRM2 (0.49) TSHRTDP1AKR1B1NPC1MAPK13
SCHEMBL24481803 0.60 HTR2A (0.50) TSHRTDP1AKR1B1HTR2A
SCHEMBL14037991 0.60 KDM1A (0.47) TSHRTDP1HTR2A
SCHEMBL19565413 0.60 KDM1A (0.47) HTR2A
SCHEMBL7884175 0.59 HTR2A (0.67) TSHRTDP1AKR1B1NPC1MAPK13
SCHEMBL10599632 0.59 TSHR (1.00) TSHRTDP1AKR1B1
SCHEMBL17605022 0.59 TSHR (1.00) TSHRTDP1AKR1B1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7582667-B2 Dihydrospiro[dibenzo[a,d][7]annulene-5,4′-imidazol] compounds for the inhibition of beta-secretase WYETH (US) 2009-09-01 US disclosed
US-7582667-B2 Dihydrospiro[dibenzo[a,d][7]annulene-5,4′-imidazol] compounds for the inhibition of beta-secretase WYETH (US) 2009-09-01 US disclosed
WO-2007100536-A1 DIHYDROSPIRO[DIBENZO[A,D][7]ANNULENE-5,4'-IMIDAZOL] COMPOUNDS FOR THE INHIBITION OF β-SECRETASE WYETH (US) 2007-09-07 WO disclosed
WO-2007100536-A1 DIHYDROSPIRO[DIBENZO[A,D][7]ANNULENE-5,4'-IMIDAZOL] COMPOUNDS FOR THE INHIBITION OF β-SECRETASE WYETH (US) 2007-09-07 WO disclosed
US-20070203116-A1 Dihydrospiro[dibenzo[a,d][7]annulene-5,4'-imidazol] compounds for the inhibition of beta-secretase WYETH (US) 2007-08-30 US disclosed
US-20070203116-A1 Dihydrospiro[dibenzo[a,d][7]annulene-5,4'-imidazol] compounds for the inhibition of beta-secretase WYETH (US) 2007-08-30 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-20070203116-A1 Dihydrospiro[dibenzo[a,d][7]annulene-5,4'-imidazol] compounds for the inhibition of beta-secretase BACE1, BACE2, APP TSHR 4792/4885TDP1 243/4885AKR1B1 763/4885

“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.