SCHEMBL3086790

SCHEMBL3086790

Cc1ccc(Cc2[c][nH]c3ccccc23)cc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CNR1 P21554 1/20 0.37
IGF1R P08069 2/20 0.36
KIF11 P52732 2/20 0.36
C3AR1 Q16581 1/20 0.36
HTR6 P50406 1/20 0.34
P2RX4 Q99571 1/20 0.34
MAPT P10636 2/20 0.33
PRNP P04156 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
RB1 P06400 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
SCHEMBL3096966 0.87 KIF11 (0.44) MEN1KMT2AKIF11HTR6MAPT
SCHEMBL6709570 0.86 KMT2A (0.46) MEN1KMT2AHTR6MAPTSMN1; SMN2
SCHEMBL3090776 0.83 LTA4H (0.50) MEN1KMT2ACNR1MAPTSMN1; SMN2
SCHEMBL3085524 0.83 SLC6A4 (0.42) MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL3084029 0.83 KIF11 (0.41) MEN1KMT2AKIF11HTR6MAPT
SCHEMBL640081 0.74 KIF11 (0.39) MEN1KMT2AKIF11MAPT
SCHEMBL6470274 0.72 CHRNB2 (0.41) MEN1KMT2AKIF11
SCHEMBL3381548 0.71 ALDH1A1 (0.36) MEN1KMT2AMAPTSMN1; SMN2L3MBTL1
SCHEMBL7404828 0.71 HTR2A (0.36) MEN1KMT2AHTR6MAPTSMN1; SMN2
SCHEMBL5327645 0.71 ALDH1A1 (0.36) MEN1KMT2AMAPTSMN1; SMN2

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 MEN1 2579/4885KMT2A 4219/4885CNR1 950/4885

“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.