SCHEMBL3091822

SCHEMBL3091822

Cc1ccc(Cc2cccc3c[c]n(C)c23)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KCNH2 Q12809 2/20 0.33
SLC5A2 P31639 2/20 0.32
CYP1A2 P05177 2/20 0.32
SLC5A1 P13866 1/20 0.32
THRB P10828 1/20 0.31
LMNA P02545 3/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30

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
SCHEMBL3090078 0.88 CYP1A2 (0.33) SLC5A2CYP1A2SLC5A1TP53
SCHEMBL3086008 0.84 LTA4H (0.42) SMN1; SMN2NPC1RAB9ATDP1SLC5A2
SCHEMBL3093428 0.84 SLC5A2 (0.35) SLC5A2SLC5A1
SCHEMBL3084725 0.84 SLC6A4 (0.46) SMN1; SMN2SLC5A2CYP1A2SLC5A1MEN1
SCHEMBL3091829 0.70 POLB (0.33) POLBSMN1; SMN2NPC1RAB9ATSHR
SCHEMBL3092122 0.69 PDE3B (0.35) POLBSMN1; SMN2NPC1RAB9ATSHR
SCHEMBL7629984 0.68 CYP2C19 (0.53) CYP1A2KMT2ACYP3A4CYP2D6CYP2C9
SCHEMBL29417924 0.68 CYP2C19 (0.53) CYP1A2KMT2ACYP3A4CYP2D6CYP2C9
SCHEMBL9403954 0.68 SLC6A2 (0.47) POLBTSHRTDP1SLC5A2CYP1A2
SCHEMBL11744689 0.65 POLB (0.41) POLBSMN1; SMN2NPC1RAB9ATSHR

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 POLB 4613/4885SMN1; SMN2 3852/4885NPC1 2342/4885

“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.