SCHEMBL1145264

SCHEMBL1145264

[S]CCc1ccc(Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.56
MIF P14174 1/20 0.50
MAOB P27338 2/20 0.48
IDO1 P14902 6/20 0.48
AOC3 Q16853 1/20 0.46
HTR3E A5X5Y0 1/20 0.45
HTR3B O95264 1/20 0.45
HTR3A P46098 1/20 0.45
HTR3D Q70Z44 1/20 0.45
HTR3C Q8WXA8 1/20 0.45
LMNA P02545 1/20 0.44
CYP2A6 P11509 1/20 0.44
IGF1R P08069 1/20 0.43
ALOX15 P16050 1/20 0.43
AGXT P21549 2/20 0.42
SLC6A4 P31645 1/20 0.42
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL9168870 0.84 TAAR1 (0.52) TAAR1MIFMAOBIDO1AOC3
SCHEMBL2135113 0.82 TAAR1 (0.68) TAAR1MIFMAOBIDO1AOC3
SCHEMBL7009001 0.80 IGF1R (0.52) TAAR1MIFMAOBIDO1HTR3E
SCHEMBL307617 0.77
SCHEMBL10365734 0.77 IGF1R (0.64) TAAR1MAOBIDO1AOC3HTR3E
SCHEMBL18050371 0.77 TAAR1 (0.62) TAAR1MIFMAOBIDO1AOC3
SCHEMBL1115439 0.74 IGF1R (0.61) TAAR1MAOBIDO1AOC3HTR3E
SCHEMBL28966782 0.74 IGF1R (0.61) TAAR1MAOBIDO1AOC3HTR3E
SCHEMBL2657239 0.74 TAAR1 (0.59) TAAR1MIFMAOBIDO1AOC3
SCHEMBL130660 0.74 TAAR1 (0.59) TAAR1MIFMAOBIDO1AOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7888374-B2 Inhibitors of c-jun N-terminal kinases ABBOTT LABORATORIES (US) 2011-02-15 US disclosed
US-20070135454-A1 Bicyclic pyrimidin-4(3h)-ones and analogues and derivatives thereof which modulate the function of the vanilloid-1-receptor(vr1) BAYLISS TRACY 2007-06-14 US disclosed
WO-2006083673-A2 PYRIDINE DERIVATIVES USEFUL AS INHIBITORS OF C-JUN N-TERMINAL KINASES ABBOTT LABORATORIES (US) 2006-08-10 WO disclosed
US-20060173050-A1 Inhibitors of c-Jun N-terminal kinases ABBVIE INC. 2006-08-03 US disclosed
US-20050171132-A1 Diaminopyrimidine derivatives as selective growth hormone secrectgogue receptor (GHS-R) antagonists XIN ZHILI (US) 2005-08-04 US disclosed
US-20050171131-A1 Diaminopyrimidine derivatives as growth hormone secrectgogue receptor (GHS-R) antagonists KOSOGOF CHRISTI (US) 2005-08-04 US disclosed
WO-2005030734-A1 DIAMINOPYRIMIDINE DERIVATIVES AS SELECTIVE GROWTH HORMONE SECRECTGOGUE RECEPTOR (GHS-R) ANTAGONISTS ABBOTT LABORATORIES (US) 2005-04-07 WO disclosed
US-20050070712-A1 Pyrimidine derivatives as ghrelin receptor modulators ABBOTT LABORATORIES 2005-03-31 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 (5 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-20060173050-A1 Inhibitors of c-Jun N-terminal kinases MAPKAPK3, MAP3K3, MAPK3 TAAR1 4002/4885MIF 2629/4885MAOB 3403/4885
US-20050171131-A1 Diaminopyrimidine derivatives as growth hormone secrectgogue receptor (GHS-R) antagonists GHSR, GIPR, GPR119 TAAR1 343/4885MIF 4008/4885MAOB 1407/4885
US-20050171132-A1 Diaminopyrimidine derivatives as selective growth hormone secrectgogue receptor (GHS-R) antagonists GHSR, GIPR, GPR119 TAAR1 360/4885MIF 3671/4885MAOB 1634/4885
US-20070135454-A1 Bicyclic pyrimidin-4(3h)-ones and analogues and derivatives thereof which modulate the function of the vanilloid-1-receptor(vr1) TRPV1, TRPV2, TRPV4 TAAR1 418/4885MIF 2889/4885MAOB 3067/4885
US-20050070712-A1 Pyrimidine derivatives as ghrelin receptor modulators GPR119, GIPR, GCGR TAAR1 244/4885MIF 4544/4885MAOB 1941/4885

“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.