SCHEMBL6174349

SCHEMBL6174349

O[C@@H](Cc1ccccc1)CN1CCCC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.60
SLC6A3 Q01959 4/20 0.60
GRIN2D O15399 2/20 0.58
GRIN3B O60391 2/20 0.58
ADRA1D P25100 2/20 0.58
ADRA1A P35348 2/20 0.58
ADRA1B P35368 2/20 0.58
GRIN1 Q05586 2/20 0.58
GRIN2A Q12879 2/20 0.58
GRIN2B Q13224 2/20 0.58
GRIN2C Q14957 2/20 0.58
GRIN3A Q8TCU5 2/20 0.58
KDM4E B2RXH2 2/20 0.58
TSHR P16473 2/20 0.57
CYP2D6 P10635 1/20 0.57
HIF1A Q16665 1/20 0.57
RAB9A P51151 1/20 0.56
HSD17B10 Q99714 1/20 0.56
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55

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
SCHEMBL5967992 0.98 TSHR (0.59) SLC6A4SLC6A3GRIN2DGRIN3BADRA1D
SCHEMBL9621424 0.92 SLC6A4 (0.68) SLC6A4SLC6A3GRIN2DGRIN3BADRA1D
SCHEMBL14078778 0.84 SLC6A4 (0.63) SLC6A4SLC6A3GRIN2DGRIN3BADRA1D
SCHEMBL12473966 0.84 RAD52 (0.56) SLC6A4SLC6A3GRIN2DGRIN3BADRA1D
SCHEMBL22928809 0.82 GRIN2D (0.63) SLC6A4SLC6A3GRIN2DGRIN3BADRA1D
SCHEMBL22440266 0.82 GRIN2D (0.61) SLC6A4SLC6A3GRIN2DGRIN3BADRA1D
SCHEMBL10600089 0.81 ABCB1 (0.62) KDM4ETSHRCYP2D6HIF1ARAB9A
SCHEMBL495874 0.80 CSNK1E (0.48) SLC6A4SLC6A3KDM4ETSHRCYP2D6
SCHEMBL5362237 0.79 GRIN2D (0.67) SLC6A4SLC6A3GRIN2DGRIN3BADRA1D
SCHEMBL9838876 0.78 TSHR (0.74) KDM4ETSHRCYP2D6HIF1ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140904-B1 FARNESYL PROTEIN TRANSFERASE INHIBITORS SCHERING CORP (US) 2005-04-20 EP disclosed
US-6800636-B2 FOR THERAPY OF CANCER SCHERING CORPORATION 2004-10-05 US disclosed
EP-0912512-B1 SULPHONAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CNS DISORDERS SMITHKLINE BEECHAM PLC (GB) 2003-04-02 EP disclosed
US-20030040520-A1 Farnesyl protein transferase inhibitors GUZI TIMOTHY (US) 2003-02-27 US disclosed
US-6362188-B1 ANTICANCER AGENTS SCHERING CORPORATION 2002-03-26 US disclosed
US-6265408-B1 PSYCHOLOGICAL DISORDERS; ANTIDEPRESSANT SMITHKLINE BEECHAM PLC (GB) 2001-07-24 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-20030040520-A1 Farnesyl protein transferase inhibitors FNTA, FNTB, CETP SLC6A4 3561/4885SLC6A3 4353/4885GRIN2D 4884/4885

“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.