SCHEMBL3096254

SCHEMBL3096254

CCc1ccc(CN2[CH]Cc3ccccc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
KDM4E B2RXH2 2/20 0.46
DRD2 P14416 2/20 0.40
DRD4 P21917 2/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TP53 P04637 1/20 0.39
POLB P06746 2/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MGLL Q99685 1/20 0.37
HDAC3 O15379 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
ALDH1A1 P00352 2/20 0.36
NOD1 Q9Y239 1/20 0.36
HDAC1 Q13547 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
FAAH O00519 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
SCHEMBL3098200 0.86 LMNA (0.47) DRD2DRD4LMNATP53POLB
SCHEMBL3095186 0.82 DRD4 (0.44) KDM4EDRD2DRD4TP53POLB
SCHEMBL3084210 0.82 ATM (0.44) NPC1RAB9AKDM4ELMNAMAPT
SCHEMBL3085317 0.82 SIGMAR1 (0.51) NPC1RAB9AKDM4EDRD2DRD4
SCHEMBL7835140 0.80 ALDH1A1 (0.41) NPC1RAB9AKDM4EDRD2DRD4
SCHEMBL7835294 0.77 ALDH1A1 (0.45) KDM4EDRD2DRD4LMNAMAPT
SCHEMBL3096260 0.75 ALDH1A1 (0.58) NPC1RAB9AKDM4EDRD4LMNA
SCHEMBL7835662 0.74 DRD2 (0.44) KDM4EDRD2DRD4LMNAMAPT
SCHEMBL1100574 0.72 ALDH1A1 (0.49) KDM4EDRD2DRD4LMNAMAPT
SCHEMBL3078219 0.71 NOD1 (0.55) NPC1RAB9AKDM4EDRD2DRD4

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 NPC1 2342/4885RAB9A 1447/4885KDM4E 2711/4885

“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.