SCHEMBL4348291

SCHEMBL4348291

Nc1cccc(OCCCCCN2CCN(c3ccc(F)cc3)CC2)c1

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.68
SLC6A4 P31645 4/20 0.68
HTR1A P08908 4/20 0.59
DRD2 P14416 4/20 0.59
HTR2A P28223 4/20 0.59
DRD3 P35462 4/20 0.59
HRH1 P35367 3/20 0.59
TMEM97 Q5BJF2 3/20 0.59
SIGMAR1 Q99720 3/20 0.59
DRD1 P21728 1/20 0.57
DRD5 P21918 1/20 0.57
ABCB1 P08183 2/20 0.56
KCNH2 Q12809 1/20 0.53
LMNA P02545 2/20 0.52
MEN1 O00255 1/20 0.52
HTT P42858 1/20 0.52
KMT2A Q03164 1/20 0.52
MAPT P10636 1/20 0.52
NLRP1 Q9C000 1/20 0.52

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
SCHEMBL4338849 0.82 SLC6A2 (0.60) SLC6A2SLC6A4HTR1ADRD2HTR2A
SCHEMBL5053711 0.82 SLC6A2 (0.60) SLC6A2SLC6A4HTR1ADRD2HTR2A
SCHEMBL5060760 0.82 SLC6A2 (0.60) SLC6A2SLC6A4HTR1ADRD2HTR2A
SCHEMBL5060790 0.82 SLC6A2 (0.60) SLC6A2SLC6A4HTR1ADRD2HTR2A
SCHEMBL4344479 0.81 SLC6A2 (0.62) SLC6A2SLC6A4HTR1ADRD2HTR2A
SCHEMBL5053732 0.81 SLC6A2 (0.61) SLC6A2SLC6A4HTR1ADRD2HTR2A
SCHEMBL4338854 0.80 SLC6A2 (0.57) SLC6A2SLC6A4HTR1ADRD2HTR2A
SCHEMBL5060761 0.80 SLC6A2 (0.57) SLC6A2SLC6A4HTR1ADRD2HTR2A
SCHEMBL5053712 0.80 SLC6A2 (0.57) SLC6A2SLC6A4HTR1ADRD2HTR2A
SCHEMBL6162706 0.80 HTR1A (0.79) SLC6A2SLC6A4HTR1ADRD2HTR2A

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-8198284-B2 Treatment of neurodegenerative disorders with thiourea compounds NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2012-06-12 US disclosed
US-7897764-B2 Thiourea derivatives NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2011-03-01 US disclosed
US-20090275596-A1 Treatment of Neurodegenerative Disorders with Thiourea Compounds NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2009-11-05 US disclosed
WO-2008154091-A1 THIOUREA DERIVATIVES NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2008-12-18 WO disclosed
US-20080306090-A1 THIOUREA DERIVATIVES NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2008-12-11 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 (2 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-20090275596-A1 Treatment of Neurodegenerative Disorders with Thiourea Compounds CLN6, MSR1, TPMT SLC6A2 148/4885SLC6A4 429/4885HTR1A 1368/4885
US-20080306090-A1 THIOUREA DERIVATIVES EIF2AK2, IFNAR1, TPMT SLC6A2 2714/4885SLC6A4 2442/4885HTR1A 2127/4885

“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.