SCHEMBL3095186

SCHEMBL3095186

CC(C)c1ccc(CN2[CH]Cc3ccccc32)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 2/20 0.44
DRD2 P14416 1/20 0.44
ALDH1A1 P00352 2/20 0.39
FAAH O00519 1/20 0.39
RORC P51449 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HTT P42858 1/20 0.38
PKM P14618 1/20 0.38
THRB P10828 1/20 0.37
PYCR1 P32322 1/20 0.36
NOD1 Q9Y239 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ATM Q13315 1/20 0.36
POLB P06746 1/20 0.36
ALOX5AP P20292 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 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
SCHEMBL3096254 0.82 NPC1 (0.46) DRD4DRD2ALDH1A1FAAHSMN1; SMN2
SCHEMBL3098200 0.82 LMNA (0.47) DRD4DRD2ALDH1A1POLBTP53
SCHEMBL3085317 0.78 SIGMAR1 (0.51) DRD4DRD2ALDH1A1SMN1; SMN2MEN1
SCHEMBL3084210 0.78 ATM (0.44) ALDH1A1SMN1; SMN2NOD1MEN1KMT2A
SCHEMBL3095188 0.77 ALDH1A1 (0.53) DRD4DRD2ALDH1A1THRBMEN1
SCHEMBL3084691 0.75 NOD1 (0.52) DRD4DRD2ALDH1A1FAAHRORC
SCHEMBL3083768 0.73 NOD1 (0.54) DRD4DRD2ALDH1A1FAAHRORC
SCHEMBL7835140 0.72 ALDH1A1 (0.41) DRD4DRD2ALDH1A1SMN1; SMN2HTT
SCHEMBL14040203 0.71 ALDH1A1 (0.52) DRD4DRD2ALDH1A1FAAHSMN1; SMN2
SCHEMBL7835294 0.69 ALDH1A1 (0.45) DRD4DRD2ALDH1A1SMN1; SMN2MEN1

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 DRD4 474/4885DRD2 1397/4885ALDH1A1 1026/4885

“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.