SCHEMBL6231136

SCHEMBL6231136

CN1CCN(Cc2cc3cc(N)ccc3s2)CC1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
NR1H2 P55055 1/20 0.47
KDM4E B2RXH2 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
MCHR1 Q99705 1/20 0.45
FAAH O00519 1/20 0.40
ILK Q13418 1/20 0.38
MC4R P32245 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
DRD2 P14416 2/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38
MAPT P10636 1/20 0.37
RAD52 P43351 1/20 0.37
S1PR5 Q9H228 1/20 0.37
HRH4 Q9H3N8 1/20 0.37
MAOA P21397 1/20 0.36

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
SCHEMBL6607240 0.87 DRD2 (0.48) MCHR1FAAHDRD2DRD4DRD3
SCHEMBL6231994 0.85 ALDH1A1 (0.47) KDM4ETDP1MCHR1FAAHDRD2
SCHEMBL6235676 0.84 CA2 (0.50) KDM4EMCHR1MAPT
SCHEMBL6251149 0.81 DRD4 (0.50) LMNAKDM4ETDP1MCHR1FAAH
SCHEMBL13499604 0.81 FAAH (0.57) KDM4ETDP1FAAHMC4RDRD2
SCHEMBL6232410 0.77 MCHR1 (0.49) KDM4EMCHR1FAAHDRD2DRD4
SCHEMBL23612352 0.73 BACE1 (0.41) KDM4ETDP1MAPT
SCHEMBL24601455 0.70 CYP2A6 (0.58) KDM4ETDP1MAPT
SCHEMBL6234089 0.69 HRH4 (0.69) KDM4EDRD2DRD3HRH4
SCHEMBL6273608 0.69 NR1H2 (0.61) LMNANR1H2KDM4ETDP1MC4R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004092181-A9 HETEROCYCLIC MCHR1 ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2005-01-27 WO disclosed
US-20040204417-A1 Novel benzothienyl or indole derivatives, preparation and use thereof as inhibitors of prenyl transferase proteins PIERRE FABRE MEDICAMENT (FR) 2004-10-14 US disclosed
EP-1395581-A2 NOVEL BENZOTHIENYL OR INDOLE DERIVATIVES, PREPARATION AND USE THEREOF AS INHIBITORS OF PRENYL TRANSFERASE PROTEINS PIERRE FABRE MEDICAMENT (FR) 2004-03-10 EP disclosed
WO-2002098852-A2 NOVEL BENZOTHIENYL OR INDOLE DERIVATIVES, AND USE THEREOF AS INHIBITORS OF PRENYL TRANSFERASE PROTEINS PIERRE FABRE MEDICAMENT (FR) 2002-12-12 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-20040204417-A1 Novel benzothienyl or indole derivatives, preparation and use thereof as inhibitors of prenyl transferase proteins CBR1, CBR3, HCCS LMNA 2717/4885NR1H2 23/4885KDM4E 2166/4885

“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.