SCHEMBL3603185

SCHEMBL3603185

Brc1cncc(N2CCN(Cc3ccccc3)CC2)c1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 5/20 0.59
DRD2 P14416 4/20 0.52
DRD3 P35462 3/20 0.52
SIGMAR1 Q99720 1/20 0.51
TRPC5 Q9UL62 1/20 0.49
CHRNB2 P17787 1/20 0.49
CHRNA4 P43681 1/20 0.49
LMNA P02545 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
CASP1 P29466 1/20 0.47
CASP5 P51878 1/20 0.47
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
TSHR P16473 1/20 0.46

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
SCHEMBL16935399 0.83 CHRNB2 (0.58) DRD4DRD2DRD3CHRNB2CHRNA4
SCHEMBL8309126 0.80 DRD4 (0.69) DRD4DRD2DRD3SIGMAR1LMNA
SCHEMBL26668393 0.79 DRD4 (0.77) DRD4DRD2DRD3SIGMAR1LMNA
SCHEMBL8312103 0.78 DRD4 (0.70) DRD4DRD2DRD3CHRNB2CHRNA4
SCHEMBL14299555 0.77 CHRNB2 (0.55) CHRNB2CHRNA4LMNAKDM4EALDH1A1
SCHEMBL14587782 0.77 DRD4 (0.53) DRD4DRD2DRD3CASP1CASP5
SCHEMBL6031812 0.76 DRD4 (1.00) DRD4DRD2DRD3SIGMAR1KDM4E
SCHEMBL12261943 0.75 DRD4 (0.77) DRD4DRD2DRD3SIGMAR1
SCHEMBL1134905 0.75 KDM4E (0.65) LMNANPC1KDM4EALDH1A1TSHR
SCHEMBL29666897 0.75 DRD4 (0.58) DRD4DRD2DRD3SIGMAR1LMNA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8497273-B2 Heterocyclic compounds suitable for treating disorders that respond to modulation of the serotonin 5HT6 receptor ABBOTT GMBH & CO. KG (DE) 2013-07-30 US disclosed
US-20100048582-A1 HETEROCYCLIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5HT6 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2010-02-25 US disclosed
EP-2074110-A1 HETEROCYCLIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5HT6 RECEPTOR Abbott GmbH & Co. KG (DE) 2009-07-01 EP disclosed
CN-101421264-A Is suitable for treating serotonin 5HT6Heterocyclic compounds for receptor-modulated responsive disorders ABBOTT GMBH & CO KG (DE) 2009-04-29 CN disclosed
WO-2007118900-A1 HETEROCYCLIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5HT6 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2007-10-25 WO 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-20100048582-A1 HETEROCYCLIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5HT6 RECEPTOR HTR6, HTR1A, HTR2C DRD4 152/4885DRD2 71/4885DRD3 156/4885

“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.