SCHEMBL3094887

SCHEMBL3094887

CSc1ccc(Cc2noc3ccc[c]c23)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
VKORC1 Q9BQB6 1/20 0.36
SLC6A4 P31645 7/20 0.35
SLC6A2 P23975 3/20 0.35
SLC6A3 Q01959 3/20 0.35
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31
TSHR P16473 1/20 0.31
RAB9A P51151 1/20 0.31
MAOA P21397 1/20 0.30
TBXA2R P21731 1/20 0.30
PTGER3 P43115 1/20 0.30
PTGER2 P43116 1/20 0.30
PTGDR Q13258 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
SCHEMBL3084411 0.85 LMNA (0.31) NPC1TP53RAB9A
SCHEMBL3091506 0.85 NPC1 (0.40) NPC1TP53TSHRRAB9A
SCHEMBL3078552 0.81 LTA4H (0.41) VKORC1MEN1KMT2ANPC1TSHR
SCHEMBL3082999 0.81 HTR1D (0.34) TP53
SCHEMBL9589093 0.78 CA12 (0.33) CYP3A4
SCHEMBL3087651 0.73 SLC6A4 (0.35) SLC6A4SLC6A2SLC6A3MEN1CYP1A2
SCHEMBL3084778 0.73 SLC6A4 (0.35) SLC6A4SLC6A2SLC6A3MEN1CYP1A2
SCHEMBL9590317 0.72 FAAH (0.32) NPC1RAB9A
SCHEMBL3097520 0.69 SLC6A4 (0.49) SLC6A4SLC6A2SLC6A3MEN1CYP1A2
SCHEMBL4590437 0.66 BRD4 (0.33)

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 VKORC1 181/4885SLC6A4 2602/4885SLC6A2 3399/4885

“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.