Sugi Predict

Sugi Predict / Compounds / SCHEMBL1764416

SCHEMBL1764416

SCHEMBL1764416

CC1Oc2ccccc2N(CCCCCl)C1=O

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.58
▸ HTT P42858 1/20 0.58
▸ ALDH1A1 P00352 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ MEN1 O00255 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ NPC1 O15118 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ F10 P00742 4/20 0.48
▸ F2 P00734 1/20 0.47
▸ PRSS1 P07477 1/20 0.47

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
SCHEMBL5159362 1.00 TSHR (0.58) TSHRHTTALDH1A1L3MBTL1MEN1
SCHEMBL1764363 0.86 ALDH1A1 (0.58) TSHRHTTALDH1A1L3MBTL1MEN1
SCHEMBL21483641 0.79 TSHR (0.62) TSHRHTTALDH1A1L3MBTL1MEN1
SCHEMBL13307075 0.78 TSHR (0.56) TSHRHTTALDH1A1L3MBTL1MEN1
SCHEMBL9419624 0.75 PIM1 (0.51) MEN1KMT2A
SCHEMBL9787326 0.74 TSHR (0.60) TSHRHTTALDH1A1L3MBTL1MEN1
SCHEMBL29354025 0.73 TSHR (0.51) TSHRHTTALDH1A1L3MBTL1MEN1
SCHEMBL3401752 0.73 TSHR (0.51) TSHRHTTALDH1A1L3MBTL1MEN1
SCHEMBL1763884 0.72 DRD2 (0.57) TSHRALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL319893 0.72 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AF10F2

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-1751116-B1 Pyrimidine compounds and use thereof in the treatment of central nervous system disorders ABBOTT GMBH & CO KG (DE) 2013-07-31 — — EP disclosed
US-8268815-B2 Pyrimidine compounds and use thereof ABBOTT GMBH & CO. KG (DE) 2012-09-18 — — US disclosed
EP-2361908-A1 Pyrimidine compounds useful for the treatment of CNS diseases Abbott GmbH & Co. KG (DE) 2011-08-31 — — EP disclosed
US-20110118232-A1 PYRIMIDINE COMPOUNDS AND USE THEREOF ABBOTT GMBH & CO. KG (DE) 2011-05-19 — — US disclosed
US-7786105-B2 Pyrimidine compounds and use thereof ABBOTT GMBH & CO. KG (DE) 2010-08-31 — — US disclosed
US-20080161322-A1 e.g. 1-[2-tert-Butyl-6-(trifluoromethyl)pyrimidin-4-yl]-4-[3-(2-oxo-3,4-dihydroquinolin-1(2H)-yl)propyl]piperazin-4-ium chloride3,4-Dihydroquinolin-2(1H)-one; dopamine D3 receptor antagonists or agonists; antidepressant, schizophrenia, Parkinson's disease ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2008-07-03 — — 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-20080161322-A1 e.g. 1-[2-tert-Butyl-6-(trifluoromethyl)pyrimidin-4-yl]-4-[3-(2-oxo-3,4-dihydroquinolin-1(2H)-yl)propyl]piperazin-4-ium chloride3,4-Dihydroquinolin-2(1H)-one; dopamine D3 receptor antagonists or agonists; antidepressant, schizophrenia, Parkinson's disease SLC6A3, GRM3, GPR3 TSHR 28/4885HTT 551/4885ALDH1A1 710/4885
US-20110118232-A1 PYRIMIDINE COMPOUNDS AND USE THEREOF CRHR1, CRHR2, MC2R TSHR 26/4885HTT 3632/4885ALDH1A1 2695/4885

“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.