SCHEMBL3079173

SCHEMBL3079173

CSc1ccc(Cc2cccc3c[c][nH]c23)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 6/20 0.48
SLC6A2 P23975 3/20 0.48
SLC6A3 Q01959 3/20 0.48
TBXA2R P21731 1/20 0.40
PTGER3 P43115 1/20 0.40
PTGER2 P43116 1/20 0.40
PTGDR Q13258 1/20 0.40
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
NPC1 O15118 1/20 0.36
GAA P10253 1/20 0.36
MAOA P21397 1/20 0.36
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C19 P33261 2/20 0.35

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
SCHEMBL3092122 0.83 PDE3B (0.35) MEN1KMT2ASMN1; SMN2ALDH1A1NPC1
SCHEMBL3087088 0.83 CYP1A2 (0.34) SMN1; SMN2CYP1A2SLC5A1SLC5A2
SCHEMBL9741839 0.81 DAO (0.42) MEN1KMT2ACYP1A2CYP3A4CYP2C19
SCHEMBL3091176 0.79 PNP (0.41) SLC6A4SLC6A2SLC6A3CYP3A4CYP2D6
SCHEMBL27945252 0.73 SLC6A2 (0.58) SLC6A4SLC6A2SLC6A3TBXA2RPTGER3
SCHEMBL3079177 0.72 SLC6A4 (0.47) SLC6A4SLC6A2SLC6A3TBXA2RPTGER3
SCHEMBL3084063 0.72 SLC6A4 (0.47) SLC6A4SLC6A2SLC6A3TBXA2RPTGER3
SCHEMBL3097520 0.72 SLC6A4 (0.49) SLC6A4SLC6A2SLC6A3TBXA2RPTGER3
SCHEMBL3084725 0.71 SLC6A4 (0.46) SLC6A4SLC6A2SLC6A3TBXA2RPTGER3
SCHEMBL13026656 0.67 SLC6A4 (0.56) SLC6A4SLC6A2SLC6A3MEN1KMT2A

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 SLC6A4 2602/4885SLC6A2 3399/4885SLC6A3 2000/4885

“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.