Sugi Predict

Sugi Predict / Compounds / SCHEMBL3843600

SCHEMBL3843600

SCHEMBL3843600

O=C(Nn1ccc2cc(Cl)ccc21)C1=CCCN(CCO)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 1/20 0.35
▸ PHGDH O43175 2/20 0.35
▸ OXER1 Q8TDS5 1/20 0.34
▸ HRH4 Q9H3N8 1/20 0.34
▸ PRMT5 O14744 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ GMNN O75496 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ ABCB11 O95342 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ ADRB2 P07550 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ HTR1A P08908 1/20 0.33
▸ ADRA2A P08913 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ MAPT P10636 1/20 0.33

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
SCHEMBL3841078 0.90 HTR7 (0.43) HTR6HRH4MEN1GMNNALDH1A1
SCHEMBL3840185 0.86 THRB (0.42) HTR6HRH4LMNATP53HRH1
SCHEMBL3841799 0.83 SLC6A1 (0.37) HTR6ALDH1A1LMNATP53CYP1A2
SCHEMBL3838240 0.82 DGAT1 (0.33) HTR6MEN1ALDH1A1LMNATP53
SCHEMBL3838305 0.78 PHGDH (0.34) PHGDHOXER1HRH4PRMT5TP53
SCHEMBL3842313 0.78 HTR7 (0.42) HTR6HRH4PRMT5ALDH1A1TSHR
SCHEMBL3837840 0.76 HTR7 (0.44) HTR6PRMT5ALDH1A1TP53CYP3A4
SCHEMBL3837780 0.75 SIGMAR1 (0.38) HTR6ALDH1A1LMNATP53CYP1A2
SCHEMBL3841744 0.75 HPGD (0.38) HTR6MEN1ALDH1A1LMNATP53
SCHEMBL3837835 0.74 HTR2C (0.41) HTR6MEN1ALDH1A1LMNATP53

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-20090298813-A1 USE OF NEUROPROTECTIVE COMPOUNDS IN OBTAINING MEDICAMENTS INTENDED FOR THE TREATMENT OF NEURODEGENERATING DISEASES LES LABORATOIRES SERVIER (FR) 2009-12-03 — — US disclosed
EP-1931341-B1 1H-INDOLE-PYRIDINECARBOXAMIDE AND 1H-INDOLE-PIPERIDINECARBOXAMIDE DERIVATIVES AND THEIR USE AS TYROSINE HYDROXYLASE INDUCERS SERVIER LAB (FR) 2009-11-04 — — EP disclosed
US-20090258883-A1 1H-Indole-Pyridinecarboxamide and 1H-Indole-Piperidinecarboxamide Compounds LES LABORATOIRES SERVIER (FR) 2009-10-15 — — US disclosed
EP-2101768-A2 USE OF NEUROPROTECTIVE COMPOUNDS FOR OBTAINING DRUGS FOR TREATING NEURODEGENERATIVE DISEASES Les Laboratoires Servier (FR) 2009-09-23 — — EP disclosed
WO-2008099083-A2 USE OF NEUROPROTECTIVE COMPOUNDS FOR OBTAINING DRUGS FOR TREATING NEURODEGENERATIVE DISEASES LES LABORATOIRES SERVIER (FR) 2008-08-21 — — WO 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-20090298813-A1 USE OF NEUROPROTECTIVE COMPOUNDS IN OBTAINING MEDICAMENTS INTENDED FOR THE TREATMENT OF NEURODEGENERATING DISEASES NLN, GAP43, SNCA HTR6 706/4885PHGDH 3018/4885OXER1 3066/4885
US-20090258883-A1 1H-Indole-Pyridinecarboxamide and 1H-Indole-Piperidinecarboxamide Compounds IDO1, AHR, IDO2 HTR6 146/4885PHGDH 3104/4885OXER1 513/4885

“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.