SCHEMBL3084033

SCHEMBL3084033

CC(C)c1ccc(Cc2c[nH]c3ccccc23)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.69
MEN1 O00255 5/20 0.68
KMT2A Q03164 5/20 0.68
GPR84 Q9NQS5 3/20 0.61
MAPT P10636 3/20 0.61
TDP1 Q9NUW8 2/20 0.61
CYP3A4 P08684 2/20 0.61
AHR P35869 1/20 0.61
NR3C1 P04150 1/20 0.54
PGR P06401 1/20 0.54
NR3C2 P08235 1/20 0.54
HTR2A P28223 3/20 0.54
HTR1A P08908 2/20 0.54
ADRB1 P08588 1/20 0.54
ADRA2A P08913 1/20 0.54
SLC6A2 P23975 1/20 0.54
HTR1D P28221 1/20 0.54
HTR1B P28222 1/20 0.54
HTR2C P28335 1/20 0.54
HTR1E P28566 1/20 0.54

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
SCHEMBL4224120 0.82 HTR6 (1.00) HTR6MEN1KMT2AGPR84MAPT
SCHEMBL3086792 0.82 MEN1 (0.74) HTR6MEN1KMT2AGPR84MAPT
SCHEMBL147220 0.82 KMT2A (0.74) HTR6MEN1KMT2AGPR84MAPT
SCHEMBL5774387 0.82 MEN1 (0.74) HTR6MEN1KMT2AGPR84MAPT
SCHEMBL22643879 0.82 HTR1D (0.61) HTR6MEN1KMT2AGPR84MAPT
SCHEMBL30648199 0.81 MEN1 (1.00) HTR6MEN1KMT2AGPR84MAPT
SCHEMBL553605 0.81 MEN1 (1.00) HTR6MEN1KMT2AGPR84MAPT
SCHEMBL28565162 0.79 MEN1 (0.70) HTR6MEN1KMT2AGPR84MAPT
SCHEMBL6880670 0.79 MC5R (0.67) MEN1KMT2AMAPTTDP1HTR2A
SCHEMBL3970092 0.79 MEN1 (0.74) HTR6MEN1KMT2AGPR84MAPT

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
US-8207134-B2 Fused ring spiroketal derivative and use thereof as anti-diabetic drug CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-06-26 US disclosed
US-20100234609-A1 FUSED RING SPIROKETAL DERIVATIVE AND USE THEREOF AS ANTI-DIABETIC DRUG CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-09-16 US disclosed
EP-2048152-A1 FUSED RING SPIROKETAL DERIVATIVE AND USE THEREOF AS DRUG FOR TREATING DIABETES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-04-15 EP 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-20100234609-A1 FUSED RING SPIROKETAL DERIVATIVE AND USE THEREOF AS ANTI-DIABETIC DRUG REN, WNK1, GCKR HTR6 1640/4885MEN1 2579/4885KMT2A 4219/4885

“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.