SCHEMBL6234089

SCHEMBL6234089

CN1CCN(C(=O)c2cc3cc(N)ccc3s2)CC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 4/20 0.69
ALDH1A1 P00352 3/20 0.50
KDM4E B2RXH2 3/20 0.50
SYK P43405 2/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
GAA P10253 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CHRNA7 P36544 1/20 0.47
HPGD P15428 2/20 0.47
F2 P00734 1/20 0.47
TPSAB1 Q15661 1/20 0.47
TPSD1 Q9BZJ3 1/20 0.47
TPSG1 Q9NRR2 1/20 0.47
HSD17B10 Q99714 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 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
SCHEMBL6232921 0.86 ALDH1A1 (0.66) HRH4ALDH1A1KDM4EGAAL3MBTL1
SCHEMBL6616703 0.85 ALDH1A1 (0.51) HRH4ALDH1A1RAB9AGAAL3MBTL1
SCHEMBL6231088 0.84 L3MBTL1 (0.69) HRH4ALDH1A1KDM4ENPC1RAB9A
SCHEMBL6253982 0.82 ALDH1A1 (0.57) HRH4ALDH1A1GAAL3MBTL1HPGD
SCHEMBL18071180 0.82 HRH4 (1.00) HRH4ALDH1A1KDM4ESYKNPC1
SCHEMBL6231464 0.81 ALDH1A1 (0.77) HRH4ALDH1A1KDM4ESYKNPC1
SCHEMBL6234648 0.78 CHRNA7 (0.53) HRH4ALDH1A1NPC1RAB9AGAA
SCHEMBL6254206 0.78 CHRNA7 (0.53) HRH4ALDH1A1NPC1RAB9AGAA
SCHEMBL6231990 0.78 HRH4 (0.48) HRH4ALDH1A1NPC1RAB9AGAA
SCHEMBL13036381 0.75 CLK1 (0.67) CHRNA7HPGDKMT2A

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 2 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

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 HRH4 42/4885ALDH1A1 2558/4885KDM4E 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.